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3-ethyl-4H-1,2,4-triazole

3-ethyl-4H-1,2,4-triazole

CAS: 7411-16-7

Formula: C4H7N3

SMILES: CCC1=NN=CN1

IUPAC: 3-ethyl-4H-1,2,4-triazole

InChI: InChI=1S/C4H7N3/c1-2-4-5-3-6-7-4/h3H,2H2,1H3,(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 JDIPHBYZUMQFQV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 28.3
Topological Polar Surface Area 41.57
Polarizability 9.88
Ring Count 1
Rotatable Bond Count 1

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