3-[[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol

C14H13N5O — CID 61168294

IUPAC3-[[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol
SMILESOc1cccc(CNc2cccnc2-n2cncn2)c1
InChIInChI=1S/C14H13N5O/c20-12-4-1-3-11(7-12)8-17-13-5-2-6-16-14(13)19-10-15-9-18-19/h1-7,9-10,17,20H,8H2
InChIKeyJQTNNMMPDCIXDN-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.98
Rot. Bonds4

About 3-[[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol

3-[[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol (PubChem CID 61168294) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-[[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol.

Molecular Properties

Compound Name3-[[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol
PubChem CID61168294
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name3-[[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol
SMILESOc1cccc(CNc2cccnc2-n2cncn2)c1
InChIInChI=1S/C14H13N5O/c20-12-4-1-3-11(7-12)8-17-13-5-2-6-16-14(13)19-10-15-9-18-19/h1-7,9-10,17,20H,8H2
InChIKeyJQTNNMMPDCIXDN-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

N-[(3,5-difluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 104819669
N-[(4-ethylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61166356
N-[(4-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167896
N-[(3-chloro-4-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 106816674
N-(pyridin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167331
4-bromo-2-[[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol
CID 107737848
N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 104819670
N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 86793882
N-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 62762369
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
N-[(4-bromo-2-fluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167521

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol?
The IUPAC name of 3-[[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol (CID 61168294) is 3-[[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol.
What is the SMILES notation for 3-[[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol?
The canonical SMILES for 3-[[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol is Oc1cccc(CNc2cccnc2-n2cncn2)c1.
What is the InChIKey of 3-[[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol?
The InChIKey is JQTNNMMPDCIXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c20-12-4-1-3-11(7-12)8-17-13-5-2-6-16-14(13)19-10-15-9-18-19/h1-7,9-10,17,20H,8H2.
What are the key properties of 3-[[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol?
3-[[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol 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 3-[[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol is sourced from PubChem (CID 61168294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).