N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]ethanamine

C12H17N5 — CID 62294478

IUPACN-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(-n2nc(C)nc2C)c1
InChIInChI=1S/C12H17N5/c1-4-13-8-11-5-6-14-12(7-11)17-10(3)15-9(2)16-17/h5-7,13H,4,8H2,1-3H3
InChIKeyHUUOPAWWZVCHMR-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.39
Rot. Bonds4

About N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]ethanamine

N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]ethanamine (PubChem CID 62294478) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]ethanamine
PubChem CID62294478
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(-n2nc(C)nc2C)c1
InChIInChI=1S/C12H17N5/c1-4-13-8-11-5-6-14-12(7-11)17-10(3)15-9(2)16-17/h5-7,13H,4,8H2,1-3H3
InChIKeyHUUOPAWWZVCHMR-UHFFFAOYSA-N
XLogP1.39
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]ethanamine 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

N-[[2-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine
CID 62295215
N-[[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine
CID 62288983
N-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine
CID 62294452
N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine
CID 62491394
N-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 80635625
N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-fluorophenyl]methyl]ethanamine
CID 61347111
N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 62295333
N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]ethanamine
CID 62448275
N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]ethanamine
CID 62128464
N-[[2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 82694623
N-[[2-(3-azaspiro[5.5]undecan-3-yl)-4-pyridinyl]methyl]ethanamine
CID 62932701
1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 62294997

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]ethanamine (CID 62294478) is N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]ethanamine is CCNCc1ccnc(-n2nc(C)nc2C)c1.
What is the InChIKey of N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]ethanamine?
The InChIKey is HUUOPAWWZVCHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-4-13-8-11-5-6-14-12(7-11)17-10(3)15-9(2)16-17/h5-7,13H,4,8H2,1-3H3.
What are the key properties of N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]ethanamine?
N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]ethanamine has a molecular weight of 231.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62294478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).