1-prop-2-enyl-1,2,4-triazole-3,5-diamine

C5H9N5 — CID 71389708

IUPAC1-prop-2-enyl-1,2,4-triazole-3,5-diamine
SMILESC=CCn1nc(N)nc1N
InChIInChI=1S/C5H9N5/c1-2-3-10-5(7)8-4(6)9-10/h2H,1,3H2,(H4,6,7,8,9)
InChIKeyNMLHTWKFGWVBBK-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.37
Rot. Bonds2

About 1-prop-2-enyl-1,2,4-triazole-3,5-diamine

1-prop-2-enyl-1,2,4-triazole-3,5-diamine (PubChem CID 71389708) has the molecular formula C5H9N5 and a molecular weight of 139.16 g/mol. Its IUPAC name is 1-prop-2-enyl-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name1-prop-2-enyl-1,2,4-triazole-3,5-diamine
PubChem CID71389708
Molecular FormulaC5H9N5
Molecular Weight139.16 g/mol
Exact Mass139.09
IUPAC Name1-prop-2-enyl-1,2,4-triazole-3,5-diamine
SMILESC=CCn1nc(N)nc1N
InChIInChI=1S/C5H9N5/c1-2-3-10-5(7)8-4(6)9-10/h2H,1,3H2,(H4,6,7,8,9)
InChIKeyNMLHTWKFGWVBBK-UHFFFAOYSA-N
XLogP-0.37
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-1,2,4-triazole-3,5-diamine?
The IUPAC name of 1-prop-2-enyl-1,2,4-triazole-3,5-diamine (CID 71389708) is 1-prop-2-enyl-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 1-prop-2-enyl-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 1-prop-2-enyl-1,2,4-triazole-3,5-diamine is C=CCn1nc(N)nc1N.
What is the InChIKey of 1-prop-2-enyl-1,2,4-triazole-3,5-diamine?
The InChIKey is NMLHTWKFGWVBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5/c1-2-3-10-5(7)8-4(6)9-10/h2H,1,3H2,(H4,6,7,8,9).
What are the key properties of 1-prop-2-enyl-1,2,4-triazole-3,5-diamine?
1-prop-2-enyl-1,2,4-triazole-3,5-diamine has a molecular weight of 139.16 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 71389708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).