6-[[4-(1,2,4-triazol-1-ylmethyl)anilino]methyl]pyridin-3-ol

C15H15N5O — CID 79782027

IUPAC6-[[4-(1,2,4-triazol-1-ylmethyl)anilino]methyl]pyridin-3-ol
SMILESOc1ccc(CNc2ccc(Cn3cncn3)cc2)nc1
InChIInChI=1S/C15H15N5O/c21-15-6-5-14(18-8-15)7-17-13-3-1-12(2-4-13)9-20-11-16-10-19-20/h1-6,8,10-11,17,21H,7,9H2
InChIKeyWLSNUGPCWAOQQS-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.04
Rot. Bonds5

About 6-[[4-(1,2,4-triazol-1-ylmethyl)anilino]methyl]pyridin-3-ol

6-[[4-(1,2,4-triazol-1-ylmethyl)anilino]methyl]pyridin-3-ol (PubChem CID 79782027) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 6-[[4-(1,2,4-triazol-1-ylmethyl)anilino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[[4-(1,2,4-triazol-1-ylmethyl)anilino]methyl]pyridin-3-ol
PubChem CID79782027
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name6-[[4-(1,2,4-triazol-1-ylmethyl)anilino]methyl]pyridin-3-ol
SMILESOc1ccc(CNc2ccc(Cn3cncn3)cc2)nc1
InChIInChI=1S/C15H15N5O/c21-15-6-5-14(18-8-15)7-17-13-3-1-12(2-4-13)9-20-11-16-10-19-20/h1-6,8,10-11,17,21H,7,9H2
InChIKeyWLSNUGPCWAOQQS-UHFFFAOYSA-N
XLogP2.04
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methylphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 43673355
N-[(3-methylimidazol-4-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 66116387
6-[[4-(triazol-2-yl)anilino]methyl]pyridin-3-ol
CID 79782863
6-(anilinomethyl)pyridin-3-ol
CID 79787965
N-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 43673369
N-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 3322898
N-[(5-methylfuran-2-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 43673373
N-[(3-fluorophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 43673353
N-[(3-bromophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 43673352
N-tert-butyl-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 143722818
N-[4-[(5-hydroxy-2-pyridinyl)methylamino]phenyl]acetamide
CID 79776095
3-chloro-2,2-dimethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 63679034

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(1,2,4-triazol-1-ylmethyl)anilino]methyl]pyridin-3-ol?
The IUPAC name of 6-[[4-(1,2,4-triazol-1-ylmethyl)anilino]methyl]pyridin-3-ol (CID 79782027) is 6-[[4-(1,2,4-triazol-1-ylmethyl)anilino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-[[4-(1,2,4-triazol-1-ylmethyl)anilino]methyl]pyridin-3-ol?
The canonical SMILES for 6-[[4-(1,2,4-triazol-1-ylmethyl)anilino]methyl]pyridin-3-ol is Oc1ccc(CNc2ccc(Cn3cncn3)cc2)nc1.
What is the InChIKey of 6-[[4-(1,2,4-triazol-1-ylmethyl)anilino]methyl]pyridin-3-ol?
The InChIKey is WLSNUGPCWAOQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c21-15-6-5-14(18-8-15)7-17-13-3-1-12(2-4-13)9-20-11-16-10-19-20/h1-6,8,10-11,17,21H,7,9H2.
What are the key properties of 6-[[4-(1,2,4-triazol-1-ylmethyl)anilino]methyl]pyridin-3-ol?
6-[[4-(1,2,4-triazol-1-ylmethyl)anilino]methyl]pyridin-3-ol has a molecular weight of 281.32 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(1,2,4-triazol-1-ylmethyl)anilino]methyl]pyridin-3-ol is sourced from PubChem (CID 79782027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).