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3,5-dimethyl-1H-1,2,4-triazole

3,5-dimethyl-1H-1,2,4-triazole

CAS: 7343-34-2

Formula: C4H7N3

SMILES: CC1=NC(C)=NN1

IUPAC: 3,5-dimethyl-1H-1,2,4-triazole

InChI: InChI=1S/C4H7N3/c1-3-5-4(2)7-6-3/h1-2H3,(H,5,6,7)

Composition: C (49.47%), H (7.27%), N (43.27%)

Molar Mass: 97.121

Atom Count: 14

Heavy Atom Count: 7

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 97.063997237
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey XYYXDARQOHWBPO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 27.98
Topological Polar Surface Area 41.57
Polarizability 9.8
Ring Count 1
Rotatable Bond Count 0

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