5-propyl-1H-1,2,4-triazol-3-amine

C5H10N4 — CID 726572

IUPAC5-propyl-1H-1,2,4-triazol-3-amine
SMILESCCCc1nc(N)n[nH]1
InChIInChI=1S/C5H10N4/c1-2-3-4-7-5(6)9-8-4/h2-3H2,1H3,(H3,6,7,8,9)
InChIKeyGCPOFDRZTYMDKK-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.34
Rot. Bonds2

About 5-propyl-1H-1,2,4-triazol-3-amine

5-propyl-1H-1,2,4-triazol-3-amine (PubChem CID 726572) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 5-propyl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-propyl-1H-1,2,4-triazol-3-amine
PubChem CID726572
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name5-propyl-1H-1,2,4-triazol-3-amine
SMILESCCCc1nc(N)n[nH]1
InChIInChI=1S/C5H10N4/c1-2-3-4-7-5(6)9-8-4/h2-3H2,1H3,(H3,6,7,8,9)
InChIKeyGCPOFDRZTYMDKK-UHFFFAOYSA-N
XLogP0.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-propyl-1H-1,2,4-triazol-3-amine (CID 726572) is 5-propyl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-propyl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-propyl-1H-1,2,4-triazol-3-amine is CCCc1nc(N)n[nH]1.
What is the InChIKey of 5-propyl-1H-1,2,4-triazol-3-amine?
The InChIKey is GCPOFDRZTYMDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-2-3-4-7-5(6)9-8-4/h2-3H2,1H3,(H3,6,7,8,9).
What are the key properties of 5-propyl-1H-1,2,4-triazol-3-amine?
5-propyl-1H-1,2,4-triazol-3-amine has a molecular weight of 126.16 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 726572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).