N-ethenyl-5-methyl-1H-1,2,4-triazol-3-amine

C5H8N4 — CID 89224126

IUPACN-ethenyl-5-methyl-1H-1,2,4-triazol-3-amine
SMILESC=CNc1n[nH]c(C)n1
InChIInChI=1S/C5H8N4/c1-3-6-5-7-4(2)8-9-5/h3H,1H2,2H3,(H2,6,7,8,9)
InChIKeyLQJAACFCPRPBOB-UHFFFAOYSA-N
MW124.15 g/mol
LogP0.67
Rot. Bonds2

About N-ethenyl-5-methyl-1H-1,2,4-triazol-3-amine

N-ethenyl-5-methyl-1H-1,2,4-triazol-3-amine (PubChem CID 89224126) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is N-ethenyl-5-methyl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-ethenyl-5-methyl-1H-1,2,4-triazol-3-amine
PubChem CID89224126
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC NameN-ethenyl-5-methyl-1H-1,2,4-triazol-3-amine
SMILESC=CNc1n[nH]c(C)n1
InChIInChI=1S/C5H8N4/c1-3-6-5-7-4(2)8-9-5/h3H,1H2,2H3,(H2,6,7,8,9)
InChIKeyLQJAACFCPRPBOB-UHFFFAOYSA-N
XLogP0.67
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-5-methyl-1H-1,2,4-triazol-3-amine?
The IUPAC name of N-ethenyl-5-methyl-1H-1,2,4-triazol-3-amine (CID 89224126) is N-ethenyl-5-methyl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for N-ethenyl-5-methyl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for N-ethenyl-5-methyl-1H-1,2,4-triazol-3-amine is C=CNc1n[nH]c(C)n1.
What is the InChIKey of N-ethenyl-5-methyl-1H-1,2,4-triazol-3-amine?
The InChIKey is LQJAACFCPRPBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c1-3-6-5-7-4(2)8-9-5/h3H,1H2,2H3,(H2,6,7,8,9).
What are the key properties of N-ethenyl-5-methyl-1H-1,2,4-triazol-3-amine?
N-ethenyl-5-methyl-1H-1,2,4-triazol-3-amine has a molecular weight of 124.15 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-5-methyl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 89224126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).