2-[[1-(2-methylphenyl)triazol-4-yl]methoxy]pyrimidin-5-ol

C14H13N5O2 — CID 163509573

IUPAC2-[[1-(2-methylphenyl)triazol-4-yl]methoxy]pyrimidin-5-ol
SMILESCc1ccccc1-n1cc(COc2ncc(O)cn2)nn1
InChIInChI=1S/C14H13N5O2/c1-10-4-2-3-5-13(10)19-8-11(17-18-19)9-21-14-15-6-12(20)7-16-14/h2-8,20H,9H2,1H3
InChIKeyDBNXTHMVAZGYFA-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.65
Rot. Bonds4

About 2-[[1-(2-methylphenyl)triazol-4-yl]methoxy]pyrimidin-5-ol

2-[[1-(2-methylphenyl)triazol-4-yl]methoxy]pyrimidin-5-ol (PubChem CID 163509573) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[[1-(2-methylphenyl)triazol-4-yl]methoxy]pyrimidin-5-ol.

Molecular Properties

Compound Name2-[[1-(2-methylphenyl)triazol-4-yl]methoxy]pyrimidin-5-ol
PubChem CID163509573
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name2-[[1-(2-methylphenyl)triazol-4-yl]methoxy]pyrimidin-5-ol
SMILESCc1ccccc1-n1cc(COc2ncc(O)cn2)nn1
InChIInChI=1S/C14H13N5O2/c1-10-4-2-3-5-13(10)19-8-11(17-18-19)9-21-14-15-6-12(20)7-16-14/h2-8,20H,9H2,1H3
InChIKeyDBNXTHMVAZGYFA-UHFFFAOYSA-N
XLogP1.65
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[1-(4-fluoro-2-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine
CID 130309762
4-(bromomethyl)-1-(2-methylphenyl)triazole
CID 62401939
2-[[1-(2,3-difluorophenyl)triazol-4-yl]methoxy]-5-fluoro-4-methylpyrimidine
CID 130309875
2-[2-[[1-(3-chloro-2-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol
CID 130309881
1-[1-(2-methylphenyl)triazol-4-yl]propan-2-amine
CID 117167503
2-[[1-(2,4-difluoro-5-methylphenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine
CID 130309921
2,2-dimethyl-3-[1-(2-methylphenyl)triazol-4-yl]propanoic acid
CID 117167549
2-[[1-(4-chlorophenyl)triazol-4-yl]methoxy]-5-methylpyrimidine
CID 130302319
2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine
CID 130309441
2-[[1-(3,5-dimethylphenyl)triazol-4-yl]methoxy]pyrimidine
CID 130309674
2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-5-ol
CID 130320947
2-[4-[[3-[[1-(2-formylphenyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]benzaldehyde
CID 155552516

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methylphenyl)triazol-4-yl]methoxy]pyrimidin-5-ol?
The IUPAC name of 2-[[1-(2-methylphenyl)triazol-4-yl]methoxy]pyrimidin-5-ol (CID 163509573) is 2-[[1-(2-methylphenyl)triazol-4-yl]methoxy]pyrimidin-5-ol.
What is the SMILES notation for 2-[[1-(2-methylphenyl)triazol-4-yl]methoxy]pyrimidin-5-ol?
The canonical SMILES for 2-[[1-(2-methylphenyl)triazol-4-yl]methoxy]pyrimidin-5-ol is Cc1ccccc1-n1cc(COc2ncc(O)cn2)nn1.
What is the InChIKey of 2-[[1-(2-methylphenyl)triazol-4-yl]methoxy]pyrimidin-5-ol?
The InChIKey is DBNXTHMVAZGYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-10-4-2-3-5-13(10)19-8-11(17-18-19)9-21-14-15-6-12(20)7-16-14/h2-8,20H,9H2,1H3.
What are the key properties of 2-[[1-(2-methylphenyl)triazol-4-yl]methoxy]pyrimidin-5-ol?
2-[[1-(2-methylphenyl)triazol-4-yl]methoxy]pyrimidin-5-ol has a molecular weight of 283.29 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methylphenyl)triazol-4-yl]methoxy]pyrimidin-5-ol is sourced from PubChem (CID 163509573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).