1-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-propyltriazol-4-amine

C13H22N6 — CID 79542569

IUPAC1-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1Cc1ccn(C(C)CC)n1
InChIInChI=1S/C13H22N6/c1-4-6-12-13(14)15-17-19(12)9-11-7-8-18(16-11)10(3)5-2/h7-8,10H,4-6,9,14H2,1-3H3
InChIKeyGKXVKYGVBOIWJY-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.03
Rot. Bonds6

About 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-propyltriazol-4-amine

1-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-propyltriazol-4-amine (PubChem CID 79542569) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-propyltriazol-4-amine.

Molecular Properties

Compound Name1-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-propyltriazol-4-amine
PubChem CID79542569
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name1-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1Cc1ccn(C(C)CC)n1
InChIInChI=1S/C13H22N6/c1-4-6-12-13(14)15-17-19(12)9-11-7-8-18(16-11)10(3)5-2/h7-8,10H,4-6,9,14H2,1-3H3
InChIKeyGKXVKYGVBOIWJY-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(1-butan-2-ylpyrazol-3-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

Related Compounds

1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propyltriazol-4-amine
CID 79542851
1-[(2S)-butan-2-yl]pyrazol-3-amine
CID 28841775
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-methylpyrazol-4-yl]methyl]propan-1-amine
CID 64778333
5-(aminomethyl)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]triazole-4-carboxylic acid
CID 103121493
2-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine
CID 79983158
3-(3-bromobutyl)-1-butan-2-ylpyrazole
CID 64779633
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218683
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-oxopyridazine-3-carboxylic acid
CID 114695973
1-[(4-bromothiophen-2-yl)methyl]-5-propyltriazol-4-amine
CID 79542088
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105948
3-[(1-butan-2-ylpyrazol-3-yl)methyl]pyridin-2-amine
CID 64777550
6-(1-butan-2-ylpyrazol-3-yl)-2-methylhexan-3-amine
CID 64778152

Frequently Asked Questions

What is the IUPAC name of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-propyltriazol-4-amine?
The IUPAC name of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-propyltriazol-4-amine (CID 79542569) is 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-propyltriazol-4-amine.
What is the SMILES notation for 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-propyltriazol-4-amine?
The canonical SMILES for 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-propyltriazol-4-amine is CCCc1c(N)nnn1Cc1ccn(C(C)CC)n1.
What is the InChIKey of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-propyltriazol-4-amine?
The InChIKey is GKXVKYGVBOIWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-4-6-12-13(14)15-17-19(12)9-11-7-8-18(16-11)10(3)5-2/h7-8,10H,4-6,9,14H2,1-3H3.
What are the key properties of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-propyltriazol-4-amine?
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-propyltriazol-4-amine has a molecular weight of 262.36 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-propyltriazol-4-amine is sourced from PubChem (CID 79542569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).