N-[(4-ethylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine

C16H17N5 — CID 61166356

IUPACN-[(4-ethylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCCc1ccc(CNc2cccnc2-n2cncn2)cc1
InChIInChI=1S/C16H17N5/c1-2-13-5-7-14(8-6-13)10-19-15-4-3-9-18-16(15)21-12-17-11-20-21/h3-9,11-12,19H,2,10H2,1H3
InChIKeyLVIPUANPKHJCOS-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.84
Rot. Bonds5

About N-[(4-ethylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine

N-[(4-ethylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine (PubChem CID 61166356) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
PubChem CID61166356
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN-[(4-ethylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCCc1ccc(CNc2cccnc2-n2cncn2)cc1
InChIInChI=1S/C16H17N5/c1-2-13-5-7-14(8-6-13)10-19-15-4-3-9-18-16(15)21-12-17-11-20-21/h3-9,11-12,19H,2,10H2,1H3
InChIKeyLVIPUANPKHJCOS-UHFFFAOYSA-N
XLogP2.84
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-ethylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-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

N-[(4-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167896
N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 104819670
N-[(3-chloro-4-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 106816674
N-[(3,5-difluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 104819669
3-[[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol
CID 61168294
N-(pyridin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167331
N-hexyl-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167520
N-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 62762369
N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 86793882
N-(3-phenylpropyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167508
N-[(4,5-dibromothiophen-2-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 102834829
4-bromo-2-[[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol
CID 107737848

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine (CID 61166356) is N-[(4-ethylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine is CCc1ccc(CNc2cccnc2-n2cncn2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The InChIKey is LVIPUANPKHJCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-2-13-5-7-14(8-6-13)10-19-15-4-3-9-18-16(15)21-12-17-11-20-21/h3-9,11-12,19H,2,10H2,1H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
N-[(4-ethylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine has a molecular weight of 279.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 61166356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).