1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine

C13H22N6 — CID 79542077

IUPAC1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1Cc1cc(CC)nn1CC
InChIInChI=1S/C13H22N6/c1-4-7-12-13(14)15-17-19(12)9-11-8-10(5-2)16-18(11)6-3/h8H,4-7,9,14H2,1-3H3
InChIKeyNVERHTSONLSVPK-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.64
Rot. Bonds6

About 1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine

1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine (PubChem CID 79542077) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine.

Molecular Properties

Compound Name1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine
PubChem CID79542077
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1Cc1cc(CC)nn1CC
InChIInChI=1S/C13H22N6/c1-4-7-12-13(14)15-17-19(12)9-11-8-10(5-2)16-18(11)6-3/h8H,4-7,9,14H2,1-3H3
InChIKeyNVERHTSONLSVPK-UHFFFAOYSA-N
XLogP1.64
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine?
The IUPAC name of 1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine (CID 79542077) is 1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine.
What is the SMILES notation for 1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine?
The canonical SMILES for 1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine is CCCc1c(N)nnn1Cc1cc(CC)nn1CC.
What is the InChIKey of 1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine?
The InChIKey is NVERHTSONLSVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-4-7-12-13(14)15-17-19(12)9-11-8-10(5-2)16-18(11)6-3/h8H,4-7,9,14H2,1-3H3.
What are the key properties of 1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine?
1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine has a molecular weight of 262.36 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine is sourced from PubChem (CID 79542077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).