2-[4-(1-hydrazinylethenyl)triazol-1-yl]ethanamine

C6H12N6 — CID 160731943

IUPAC2-[4-(1-hydrazinylethenyl)triazol-1-yl]ethanamine
SMILESC=C(NN)c1cn(CCN)nn1
InChIInChI=1S/C6H12N6/c1-5(9-8)6-4-12(3-2-7)11-10-6/h4,9H,1-3,7-8H2
InChIKeyRULNFZHGQXXOQH-UHFFFAOYSA-N
MW168.20 g/mol
LogP-1.33
Rot. Bonds4

About 2-[4-(1-hydrazinylethenyl)triazol-1-yl]ethanamine

2-[4-(1-hydrazinylethenyl)triazol-1-yl]ethanamine (PubChem CID 160731943) has the molecular formula C6H12N6 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-[4-(1-hydrazinylethenyl)triazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(1-hydrazinylethenyl)triazol-1-yl]ethanamine
PubChem CID160731943
Molecular FormulaC6H12N6
Molecular Weight168.20 g/mol
Exact Mass168.11
IUPAC Name2-[4-(1-hydrazinylethenyl)triazol-1-yl]ethanamine
SMILESC=C(NN)c1cn(CCN)nn1
InChIInChI=1S/C6H12N6/c1-5(9-8)6-4-12(3-2-7)11-10-6/h4,9H,1-3,7-8H2
InChIKeyRULNFZHGQXXOQH-UHFFFAOYSA-N
XLogP-1.33
TPSA94.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydrazinylethenyl)triazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(1-hydrazinylethenyl)triazol-1-yl]ethanamine (CID 160731943) is 2-[4-(1-hydrazinylethenyl)triazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(1-hydrazinylethenyl)triazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(1-hydrazinylethenyl)triazol-1-yl]ethanamine is C=C(NN)c1cn(CCN)nn1.
What is the InChIKey of 2-[4-(1-hydrazinylethenyl)triazol-1-yl]ethanamine?
The InChIKey is RULNFZHGQXXOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N6/c1-5(9-8)6-4-12(3-2-7)11-10-6/h4,9H,1-3,7-8H2.
What are the key properties of 2-[4-(1-hydrazinylethenyl)triazol-1-yl]ethanamine?
2-[4-(1-hydrazinylethenyl)triazol-1-yl]ethanamine has a molecular weight of 168.20 g/mol, XLogP of -1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydrazinylethenyl)triazol-1-yl]ethanamine is sourced from PubChem (CID 160731943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).