[1-(3-methylbutyl)-5-pyridin-4-yltriazol-4-yl]methanamine

C13H19N5 — CID 82208441

IUPAC[1-(3-methylbutyl)-5-pyridin-4-yltriazol-4-yl]methanamine
SMILESCC(C)CCn1nnc(CN)c1-c1ccncc1
InChIInChI=1S/C13H19N5/c1-10(2)5-8-18-13(12(9-14)16-17-18)11-3-6-15-7-4-11/h3-4,6-7,10H,5,8-9,14H2,1-2H3
InChIKeyGEJBFJXLUXXVHM-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.84
Rot. Bonds5

About [1-(3-methylbutyl)-5-pyridin-4-yltriazol-4-yl]methanamine

[1-(3-methylbutyl)-5-pyridin-4-yltriazol-4-yl]methanamine (PubChem CID 82208441) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is [1-(3-methylbutyl)-5-pyridin-4-yltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-methylbutyl)-5-pyridin-4-yltriazol-4-yl]methanamine
PubChem CID82208441
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name[1-(3-methylbutyl)-5-pyridin-4-yltriazol-4-yl]methanamine
SMILESCC(C)CCn1nnc(CN)c1-c1ccncc1
InChIInChI=1S/C13H19N5/c1-10(2)5-8-18-13(12(9-14)16-17-18)11-3-6-15-7-4-11/h3-4,6-7,10H,5,8-9,14H2,1-2H3
InChIKeyGEJBFJXLUXXVHM-UHFFFAOYSA-N
XLogP1.84
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(3-methylbutyl)-5-pyridin-4-yltriazol-4-yl]methanamine 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

[5-(2-fluorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanamine
CID 82208417
3-[4-(aminomethyl)-5-pyridin-4-yltriazol-1-yl]propane-1,2-diol
CID 82210377
[1-(3-phenoxypropyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 94945102
(1-benzyl-5-pyridin-4-yltriazol-4-yl)methanamine
CID 82203160
[5-(4-chlorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanol
CID 82208326
[1-(1-phenylethyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82206282
[1-[(2-chlorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82203445
[1-ethyl-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82207457
[1-(3-methylbutyl)-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine
CID 82208453
[1-hexyl-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82206097
[5-(3,4-dimethylphenyl)-1-(2-methylpropyl)triazol-4-yl]methanamine
CID 82208795
(1-octyl-5-phenyltriazol-4-yl)methanamine
CID 126566340

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylbutyl)-5-pyridin-4-yltriazol-4-yl]methanamine?
The IUPAC name of [1-(3-methylbutyl)-5-pyridin-4-yltriazol-4-yl]methanamine (CID 82208441) is [1-(3-methylbutyl)-5-pyridin-4-yltriazol-4-yl]methanamine.
What is the SMILES notation for [1-(3-methylbutyl)-5-pyridin-4-yltriazol-4-yl]methanamine?
The canonical SMILES for [1-(3-methylbutyl)-5-pyridin-4-yltriazol-4-yl]methanamine is CC(C)CCn1nnc(CN)c1-c1ccncc1.
What is the InChIKey of [1-(3-methylbutyl)-5-pyridin-4-yltriazol-4-yl]methanamine?
The InChIKey is GEJBFJXLUXXVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-10(2)5-8-18-13(12(9-14)16-17-18)11-3-6-15-7-4-11/h3-4,6-7,10H,5,8-9,14H2,1-2H3.
What are the key properties of [1-(3-methylbutyl)-5-pyridin-4-yltriazol-4-yl]methanamine?
[1-(3-methylbutyl)-5-pyridin-4-yltriazol-4-yl]methanamine has a molecular weight of 245.33 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylbutyl)-5-pyridin-4-yltriazol-4-yl]methanamine is sourced from PubChem (CID 82208441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).