N-[[4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propan-1-amine

C13H19N5 — CID 62294676

IUPACN-[[4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1c(C)cc(C)nc1-n1cncn1
InChIInChI=1S/C13H19N5/c1-4-5-14-7-12-10(2)6-11(3)17-13(12)18-9-15-8-16-18/h6,8-9,14H,4-5,7H2,1-3H3
InChIKeyNQQBTOIDLRWNJN-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.78
Rot. Bonds5

About N-[[4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propan-1-amine

N-[[4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 62294676) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[[4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
PubChem CID62294676
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-[[4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1c(C)cc(C)nc1-n1cncn1
InChIInChI=1S/C13H19N5/c1-4-5-14-7-12-10(2)6-11(3)17-13(12)18-9-15-8-16-18/h6,8-9,14H,4-5,7H2,1-3H3
InChIKeyNQQBTOIDLRWNJN-UHFFFAOYSA-N
XLogP1.78
TPSA55.63 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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propan-1-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 N-[[4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propan-1-amine (CID 62294676) is N-[[4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1c(C)cc(C)nc1-n1cncn1.
What is the InChIKey of N-[[4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is NQQBTOIDLRWNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-5-14-7-12-10(2)6-11(3)17-13(12)18-9-15-8-16-18/h6,8-9,14H,4-5,7H2,1-3H3.
What are the key properties of N-[[4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propan-1-amine?
N-[[4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62294676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).