N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1-pyridin-4-ylethanamine

C17H19N5 — CID 86787300

IUPACN-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1-pyridin-4-ylethanamine
SMILESCC(NCc1nnc(-c2ccccc2)n1C)c1ccncc1
InChIInChI=1S/C17H19N5/c1-13(14-8-10-18-11-9-14)19-12-16-20-21-17(22(16)2)15-6-4-3-5-7-15/h3-11,13,19H,12H2,1-2H3
InChIKeyUITQSMITQQWXCI-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.73
Rot. Bonds5

About N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1-pyridin-4-ylethanamine

N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 86787300) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1-pyridin-4-ylethanamine
PubChem CID86787300
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC NameN-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1-pyridin-4-ylethanamine
SMILESCC(NCc1nnc(-c2ccccc2)n1C)c1ccncc1
InChIInChI=1S/C17H19N5/c1-13(14-8-10-18-11-9-14)19-12-16-20-21-17(22(16)2)15-6-4-3-5-7-15/h3-11,13,19H,12H2,1-2H3
InChIKeyUITQSMITQQWXCI-UHFFFAOYSA-N
XLogP2.73
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81410114
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 43524835
(1R)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81395728
1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride
CID 45156207
(1R)-1-(4-chlorophenyl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 81352643
N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 61019203
(1S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81395317
(2R)-2-acetamido-3-methyl-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]butanamide
CID 138009138
N-[(2-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 43178816
(1S)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyridin-4-ylethanamine
CID 81410726
(1S)-N-[(2,3-dimethylphenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406440
3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81409698

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1-pyridin-4-ylethanamine (CID 86787300) is N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1-pyridin-4-ylethanamine is CC(NCc1nnc(-c2ccccc2)n1C)c1ccncc1.
What is the InChIKey of N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is UITQSMITQQWXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-13(14-8-10-18-11-9-14)19-12-16-20-21-17(22(16)2)15-6-4-3-5-7-15/h3-11,13,19H,12H2,1-2H3.
What are the key properties of N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1-pyridin-4-ylethanamine?
N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1-pyridin-4-ylethanamine has a molecular weight of 293.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 86787300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).