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

C4H10N6 — CID 90063907

IUPAC3-[amino(ethyl)amino]-1H-1,2,4-triazol-5-amine
SMILESCCN(N)c1n[nH]c(N)n1
InChIInChI=1S/C4H10N6/c1-2-10(6)4-7-3(5)8-9-4/h2,6H2,1H3,(H3,5,7,8,9)
InChIKeyHQFAMBUYZUVNPS-UHFFFAOYSA-N
MW142.17 g/mol
LogP-0.91
Rot. Bonds2

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

3-[amino(ethyl)amino]-1H-1,2,4-triazol-5-amine (PubChem CID 90063907) has the molecular formula C4H10N6 and a molecular weight of 142.17 g/mol. Its IUPAC name is 3-[amino(ethyl)amino]-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-[amino(ethyl)amino]-1H-1,2,4-triazol-5-amine
PubChem CID90063907
Molecular FormulaC4H10N6
Molecular Weight142.17 g/mol
Exact Mass142.10
IUPAC Name3-[amino(ethyl)amino]-1H-1,2,4-triazol-5-amine
SMILESCCN(N)c1n[nH]c(N)n1
InChIInChI=1S/C4H10N6/c1-2-10(6)4-7-3(5)8-9-4/h2,6H2,1H3,(H3,5,7,8,9)
InChIKeyHQFAMBUYZUVNPS-UHFFFAOYSA-N
XLogP-0.91
TPSA96.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 5-0.91
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(ethyl)amino]-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-[amino(ethyl)amino]-1H-1,2,4-triazol-5-amine (CID 90063907) is 3-[amino(ethyl)amino]-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-[amino(ethyl)amino]-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-[amino(ethyl)amino]-1H-1,2,4-triazol-5-amine is CCN(N)c1n[nH]c(N)n1.
What is the InChIKey of 3-[amino(ethyl)amino]-1H-1,2,4-triazol-5-amine?
The InChIKey is HQFAMBUYZUVNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N6/c1-2-10(6)4-7-3(5)8-9-4/h2,6H2,1H3,(H3,5,7,8,9).
What are the key properties of 3-[amino(ethyl)amino]-1H-1,2,4-triazol-5-amine?
3-[amino(ethyl)amino]-1H-1,2,4-triazol-5-amine has a molecular weight of 142.17 g/mol, XLogP of -0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(ethyl)amino]-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 90063907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).