6-[[4-(triazol-2-yl)anilino]methyl]pyridin-3-ol

C14H13N5O — CID 79782863

IUPAC6-[[4-(triazol-2-yl)anilino]methyl]pyridin-3-ol
SMILESOc1ccc(CNc2ccc(-n3nccn3)cc2)nc1
InChIInChI=1S/C14H13N5O/c20-14-6-3-12(16-10-14)9-15-11-1-4-13(5-2-11)19-17-7-8-18-19/h1-8,10,15,20H,9H2
InChIKeyPPZAHKROFORGAQ-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.98
Rot. Bonds4

About 6-[[4-(triazol-2-yl)anilino]methyl]pyridin-3-ol

6-[[4-(triazol-2-yl)anilino]methyl]pyridin-3-ol (PubChem CID 79782863) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 6-[[4-(triazol-2-yl)anilino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[[4-(triazol-2-yl)anilino]methyl]pyridin-3-ol
PubChem CID79782863
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name6-[[4-(triazol-2-yl)anilino]methyl]pyridin-3-ol
SMILESOc1ccc(CNc2ccc(-n3nccn3)cc2)nc1
InChIInChI=1S/C14H13N5O/c20-14-6-3-12(16-10-14)9-15-11-1-4-13(5-2-11)19-17-7-8-18-19/h1-8,10,15,20H,9H2
InChIKeyPPZAHKROFORGAQ-UHFFFAOYSA-N
XLogP1.98
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(anilinomethyl)pyridin-3-ol
CID 79787965
N-[4-[(5-hydroxy-2-pyridinyl)methylamino]phenyl]acetamide
CID 79776095
6-[[4-(1,2,4-triazol-1-ylmethyl)anilino]methyl]pyridin-3-ol
CID 79782027
[4-[[4-(triazol-2-yl)anilino]methyl]phenyl]methanol
CID 110006513
6-[[(6-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]pyridin-3-ol
CID 79776177
propan-2-yl 4-[(5-hydroxy-2-pyridinyl)methylamino]benzoate
CID 79782251
6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]pyridin-3-ol
CID 79775669
2-[4-[[4-(triazol-2-yl)anilino]methyl]pyrazol-1-yl]ethanol
CID 64829397
6-[(1,3-thiazol-2-ylamino)methyl]pyridin-3-ol
CID 79794027
N-[(2,6-difluorophenyl)methyl]-4-(triazol-2-yl)aniline
CID 43740302
6-[[3-chloro-4-(dimethylamino)anilino]methyl]pyridin-3-ol
CID 79781509
N-[(2-ethylphenyl)methyl]-4-(triazol-2-yl)aniline
CID 62391950

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(triazol-2-yl)anilino]methyl]pyridin-3-ol?
The IUPAC name of 6-[[4-(triazol-2-yl)anilino]methyl]pyridin-3-ol (CID 79782863) is 6-[[4-(triazol-2-yl)anilino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-[[4-(triazol-2-yl)anilino]methyl]pyridin-3-ol?
The canonical SMILES for 6-[[4-(triazol-2-yl)anilino]methyl]pyridin-3-ol is Oc1ccc(CNc2ccc(-n3nccn3)cc2)nc1.
What is the InChIKey of 6-[[4-(triazol-2-yl)anilino]methyl]pyridin-3-ol?
The InChIKey is PPZAHKROFORGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c20-14-6-3-12(16-10-14)9-15-11-1-4-13(5-2-11)19-17-7-8-18-19/h1-8,10,15,20H,9H2.
What are the key properties of 6-[[4-(triazol-2-yl)anilino]methyl]pyridin-3-ol?
6-[[4-(triazol-2-yl)anilino]methyl]pyridin-3-ol has a molecular weight of 267.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(triazol-2-yl)anilino]methyl]pyridin-3-ol is sourced from PubChem (CID 79782863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).