3-[amino(propyl)amino]-1H-1,2,4-triazol-5-amine

C5H12N6 — CID 90063606

IUPAC3-[amino(propyl)amino]-1H-1,2,4-triazol-5-amine
SMILESCCCN(N)c1n[nH]c(N)n1
InChIInChI=1S/C5H12N6/c1-2-3-11(7)5-8-4(6)9-10-5/h2-3,7H2,1H3,(H3,6,8,9,10)
InChIKeyDIBCXHGUDZUXDR-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.52
Rot. Bonds3

About 3-[amino(propyl)amino]-1H-1,2,4-triazol-5-amine

3-[amino(propyl)amino]-1H-1,2,4-triazol-5-amine (PubChem CID 90063606) has the molecular formula C5H12N6 and a molecular weight of 156.19 g/mol. Its IUPAC name is 3-[amino(propyl)amino]-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-[amino(propyl)amino]-1H-1,2,4-triazol-5-amine
PubChem CID90063606
Molecular FormulaC5H12N6
Molecular Weight156.19 g/mol
Exact Mass156.11
IUPAC Name3-[amino(propyl)amino]-1H-1,2,4-triazol-5-amine
SMILESCCCN(N)c1n[nH]c(N)n1
InChIInChI=1S/C5H12N6/c1-2-3-11(7)5-8-4(6)9-10-5/h2-3,7H2,1H3,(H3,6,8,9,10)
InChIKeyDIBCXHGUDZUXDR-UHFFFAOYSA-N
XLogP-0.52
TPSA96.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 3-[amino(propyl)amino]-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-[amino(propyl)amino]-1H-1,2,4-triazol-5-amine (CID 90063606) is 3-[amino(propyl)amino]-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-[amino(propyl)amino]-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-[amino(propyl)amino]-1H-1,2,4-triazol-5-amine is CCCN(N)c1n[nH]c(N)n1.
What is the InChIKey of 3-[amino(propyl)amino]-1H-1,2,4-triazol-5-amine?
The InChIKey is DIBCXHGUDZUXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N6/c1-2-3-11(7)5-8-4(6)9-10-5/h2-3,7H2,1H3,(H3,6,8,9,10).
What are the key properties of 3-[amino(propyl)amino]-1H-1,2,4-triazol-5-amine?
3-[amino(propyl)amino]-1H-1,2,4-triazol-5-amine has a molecular weight of 156.19 g/mol, XLogP of -0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(propyl)amino]-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 90063606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).