(5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)methanamine

C4H8N4 — CID 118185508

IUPAC(5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)methanamine
SMILESC=C1N=C(CN)NN1
InChIInChI=1S/C4H8N4/c1-3-6-4(2-5)8-7-3/h7H,1-2,5H2,(H,6,8)
InChIKeyQOJXLXMLDLOQSK-UHFFFAOYSA-N
MW112.14 g/mol
LogP-1.08
Rot. Bonds1

About (5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)methanamine

(5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)methanamine (PubChem CID 118185508) has the molecular formula C4H8N4 and a molecular weight of 112.14 g/mol. Its IUPAC name is (5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)methanamine
PubChem CID118185508
Molecular FormulaC4H8N4
Molecular Weight112.14 g/mol
Exact Mass112.07
IUPAC Name(5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)methanamine
SMILESC=C1N=C(CN)NN1
InChIInChI=1S/C4H8N4/c1-3-6-4(2-5)8-7-3/h7H,1-2,5H2,(H,6,8)
InChIKeyQOJXLXMLDLOQSK-UHFFFAOYSA-N
XLogP-1.08
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.14
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)methanamine (CID 118185508) is (5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)methanamine is C=C1N=C(CN)NN1.
What is the InChIKey of (5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)methanamine?
The InChIKey is QOJXLXMLDLOQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4/c1-3-6-4(2-5)8-7-3/h7H,1-2,5H2,(H,6,8).
What are the key properties of (5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)methanamine?
(5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)methanamine has a molecular weight of 112.14 g/mol, XLogP of -1.08, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 118185508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).