(E)-2-(3-methyl-1,2,4-triazol-4-yl)ethenamine

C5H8N4 — CID 89340277

IUPAC(E)-2-(3-methyl-1,2,4-triazol-4-yl)ethenamine
SMILESCc1nncn1/C=C/N
InChIInChI=1S/C5H8N4/c1-5-8-7-4-9(5)3-2-6/h2-4H,6H2,1H3/b3-2+
InChIKeyCPSFAXIKLGLXDH-NSCUHMNNSA-N
MW124.15 g/mol
LogP-0.03
Rot. Bonds1

About (E)-2-(3-methyl-1,2,4-triazol-4-yl)ethenamine

(E)-2-(3-methyl-1,2,4-triazol-4-yl)ethenamine (PubChem CID 89340277) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is (E)-2-(3-methyl-1,2,4-triazol-4-yl)ethenamine.

Molecular Properties

Compound Name(E)-2-(3-methyl-1,2,4-triazol-4-yl)ethenamine
PubChem CID89340277
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name(E)-2-(3-methyl-1,2,4-triazol-4-yl)ethenamine
SMILESCc1nncn1/C=C/N
InChIInChI=1S/C5H8N4/c1-5-8-7-4-9(5)3-2-6/h2-4H,6H2,1H3/b3-2+
InChIKeyCPSFAXIKLGLXDH-NSCUHMNNSA-N
XLogP-0.03
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(3-methyl-1,2,4-triazol-4-yl)ethenamine?
The IUPAC name of (E)-2-(3-methyl-1,2,4-triazol-4-yl)ethenamine (CID 89340277) is (E)-2-(3-methyl-1,2,4-triazol-4-yl)ethenamine.
What is the SMILES notation for (E)-2-(3-methyl-1,2,4-triazol-4-yl)ethenamine?
The canonical SMILES for (E)-2-(3-methyl-1,2,4-triazol-4-yl)ethenamine is Cc1nncn1/C=C/N.
What is the InChIKey of (E)-2-(3-methyl-1,2,4-triazol-4-yl)ethenamine?
The InChIKey is CPSFAXIKLGLXDH-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H8N4/c1-5-8-7-4-9(5)3-2-6/h2-4H,6H2,1H3/b3-2+.
What are the key properties of (E)-2-(3-methyl-1,2,4-triazol-4-yl)ethenamine?
(E)-2-(3-methyl-1,2,4-triazol-4-yl)ethenamine has a molecular weight of 124.15 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3-methyl-1,2,4-triazol-4-yl)ethenamine is sourced from PubChem (CID 89340277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).