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

C9H18N4 — CID 62677531

IUPAC2-butyl-5-propyl-1,2,4-triazol-3-amine
SMILESCCCCn1nc(CCC)nc1N
InChIInChI=1S/C9H18N4/c1-3-5-7-13-9(10)11-8(12-13)6-4-2/h3-7H2,1-2H3,(H2,10,11,12)
InChIKeyGSYLRLKUCHYHIG-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.61
Rot. Bonds5

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

2-butyl-5-propyl-1,2,4-triazol-3-amine (PubChem CID 62677531) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-butyl-5-propyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-butyl-5-propyl-1,2,4-triazol-3-amine
PubChem CID62677531
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name2-butyl-5-propyl-1,2,4-triazol-3-amine
SMILESCCCCn1nc(CCC)nc1N
InChIInChI=1S/C9H18N4/c1-3-5-7-13-9(10)11-8(12-13)6-4-2/h3-7H2,1-2H3,(H2,10,11,12)
InChIKeyGSYLRLKUCHYHIG-UHFFFAOYSA-N
XLogP1.61
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-propyl-1,2,4-triazol-3-amine?
The IUPAC name of 2-butyl-5-propyl-1,2,4-triazol-3-amine (CID 62677531) is 2-butyl-5-propyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-butyl-5-propyl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-butyl-5-propyl-1,2,4-triazol-3-amine is CCCCn1nc(CCC)nc1N.
What is the InChIKey of 2-butyl-5-propyl-1,2,4-triazol-3-amine?
The InChIKey is GSYLRLKUCHYHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-3-5-7-13-9(10)11-8(12-13)6-4-2/h3-7H2,1-2H3,(H2,10,11,12).
What are the key properties of 2-butyl-5-propyl-1,2,4-triazol-3-amine?
2-butyl-5-propyl-1,2,4-triazol-3-amine has a molecular weight of 182.27 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-propyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 62677531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).