2-[(Z)-2-aminoethenyl]-5-methyl-1,2,4-triazol-3-amine

C5H9N5 — CID 134334535

IUPAC2-[(Z)-2-aminoethenyl]-5-methyl-1,2,4-triazol-3-amine
SMILESCc1nc(N)n(/C=C\N)n1
InChIInChI=1S/C5H9N5/c1-4-8-5(7)10(9-4)3-2-6/h2-3H,6H2,1H3,(H2,7,8,9)/b3-2-
InChIKeyRQNZBSHCLYQJGR-IHWYPQMZSA-N
MW139.16 g/mol
LogP-0.44
Rot. Bonds1

About 2-[(Z)-2-aminoethenyl]-5-methyl-1,2,4-triazol-3-amine

2-[(Z)-2-aminoethenyl]-5-methyl-1,2,4-triazol-3-amine (PubChem CID 134334535) has the molecular formula C5H9N5 and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-[(Z)-2-aminoethenyl]-5-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-[(Z)-2-aminoethenyl]-5-methyl-1,2,4-triazol-3-amine
PubChem CID134334535
Molecular FormulaC5H9N5
Molecular Weight139.16 g/mol
Exact Mass139.09
IUPAC Name2-[(Z)-2-aminoethenyl]-5-methyl-1,2,4-triazol-3-amine
SMILESCc1nc(N)n(/C=C\N)n1
InChIInChI=1S/C5H9N5/c1-4-8-5(7)10(9-4)3-2-6/h2-3H,6H2,1H3,(H2,7,8,9)/b3-2-
InChIKeyRQNZBSHCLYQJGR-IHWYPQMZSA-N
XLogP-0.44
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-aminoethenyl]-5-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 2-[(Z)-2-aminoethenyl]-5-methyl-1,2,4-triazol-3-amine (CID 134334535) is 2-[(Z)-2-aminoethenyl]-5-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-[(Z)-2-aminoethenyl]-5-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-[(Z)-2-aminoethenyl]-5-methyl-1,2,4-triazol-3-amine is Cc1nc(N)n(/C=C\N)n1.
What is the InChIKey of 2-[(Z)-2-aminoethenyl]-5-methyl-1,2,4-triazol-3-amine?
The InChIKey is RQNZBSHCLYQJGR-IHWYPQMZSA-N. The full InChI is InChI=1S/C5H9N5/c1-4-8-5(7)10(9-4)3-2-6/h2-3H,6H2,1H3,(H2,7,8,9)/b3-2-.
What are the key properties of 2-[(Z)-2-aminoethenyl]-5-methyl-1,2,4-triazol-3-amine?
2-[(Z)-2-aminoethenyl]-5-methyl-1,2,4-triazol-3-amine has a molecular weight of 139.16 g/mol, XLogP of -0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-aminoethenyl]-5-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 134334535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).