3,5-dipropyl-1,2,4-triazol-4-amine

C8H16N4 — CID 2758722

IUPAC3,5-dipropyl-1,2,4-triazol-4-amine
SMILESCCCc1nnc(CCC)n1N
InChIInChI=1S/C8H16N4/c1-3-5-7-10-11-8(6-4-2)12(7)9/h3-6,9H2,1-2H3
InChIKeyQQHNFZBYCQMAOD-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.90
Rot. Bonds4

About 3,5-dipropyl-1,2,4-triazol-4-amine

3,5-dipropyl-1,2,4-triazol-4-amine (PubChem CID 2758722) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3,5-dipropyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3,5-dipropyl-1,2,4-triazol-4-amine
PubChem CID2758722
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name3,5-dipropyl-1,2,4-triazol-4-amine
SMILESCCCc1nnc(CCC)n1N
InChIInChI=1S/C8H16N4/c1-3-5-7-10-11-8(6-4-2)12(7)9/h3-6,9H2,1-2H3
InChIKeyQQHNFZBYCQMAOD-UHFFFAOYSA-N
XLogP0.90
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dipropyl-1,2,4-triazol-4-amine?
The IUPAC name of 3,5-dipropyl-1,2,4-triazol-4-amine (CID 2758722) is 3,5-dipropyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3,5-dipropyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3,5-dipropyl-1,2,4-triazol-4-amine is CCCc1nnc(CCC)n1N.
What is the InChIKey of 3,5-dipropyl-1,2,4-triazol-4-amine?
The InChIKey is QQHNFZBYCQMAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-3-5-7-10-11-8(6-4-2)12(7)9/h3-6,9H2,1-2H3.
What are the key properties of 3,5-dipropyl-1,2,4-triazol-4-amine?
3,5-dipropyl-1,2,4-triazol-4-amine has a molecular weight of 168.24 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dipropyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 2758722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).