2-(1-chloroethenyl)-N-methyl-1,2,4-triazol-3-amine

C5H7ClN4 — CID 166902883

IUPAC2-(1-chloroethenyl)-N-methyl-1,2,4-triazol-3-amine
SMILESC=C(Cl)n1ncnc1NC
InChIInChI=1S/C5H7ClN4/c1-4(6)10-5(7-2)8-3-9-10/h3H,1H2,2H3,(H,7,8,9)
InChIKeyRPHVBCNEBKMFSH-UHFFFAOYSA-N
MW158.59 g/mol
LogP0.99
Rot. Bonds2

About 2-(1-chloroethenyl)-N-methyl-1,2,4-triazol-3-amine

2-(1-chloroethenyl)-N-methyl-1,2,4-triazol-3-amine (PubChem CID 166902883) has the molecular formula C5H7ClN4 and a molecular weight of 158.59 g/mol. Its IUPAC name is 2-(1-chloroethenyl)-N-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-(1-chloroethenyl)-N-methyl-1,2,4-triazol-3-amine
PubChem CID166902883
Molecular FormulaC5H7ClN4
Molecular Weight158.59 g/mol
Exact Mass158.04
IUPAC Name2-(1-chloroethenyl)-N-methyl-1,2,4-triazol-3-amine
SMILESC=C(Cl)n1ncnc1NC
InChIInChI=1S/C5H7ClN4/c1-4(6)10-5(7-2)8-3-9-10/h3H,1H2,2H3,(H,7,8,9)
InChIKeyRPHVBCNEBKMFSH-UHFFFAOYSA-N
XLogP0.99
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethenyl)-N-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 2-(1-chloroethenyl)-N-methyl-1,2,4-triazol-3-amine (CID 166902883) is 2-(1-chloroethenyl)-N-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-(1-chloroethenyl)-N-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-(1-chloroethenyl)-N-methyl-1,2,4-triazol-3-amine is C=C(Cl)n1ncnc1NC.
What is the InChIKey of 2-(1-chloroethenyl)-N-methyl-1,2,4-triazol-3-amine?
The InChIKey is RPHVBCNEBKMFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN4/c1-4(6)10-5(7-2)8-3-9-10/h3H,1H2,2H3,(H,7,8,9).
What are the key properties of 2-(1-chloroethenyl)-N-methyl-1,2,4-triazol-3-amine?
2-(1-chloroethenyl)-N-methyl-1,2,4-triazol-3-amine has a molecular weight of 158.59 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethenyl)-N-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 166902883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).