(4-methoxyphenyl)-(1,2,4-triazol-1-yl)methanone

C10H9N3O2 — CID 694174

IUPAC(4-methoxyphenyl)-(1,2,4-triazol-1-yl)methanone
SMILESCOc1ccc(C(=O)n2cncn2)cc1
InChIInChI=1S/C10H9N3O2/c1-15-9-4-2-8(3-5-9)10(14)13-7-11-6-12-13/h2-7H,1H3
InChIKeyUUOFCZMMPFGKQC-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.98
Rot. Bonds2

About (4-methoxyphenyl)-(1,2,4-triazol-1-yl)methanone

(4-methoxyphenyl)-(1,2,4-triazol-1-yl)methanone (PubChem CID 694174) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is (4-methoxyphenyl)-(1,2,4-triazol-1-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(1,2,4-triazol-1-yl)methanone
PubChem CID694174
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name(4-methoxyphenyl)-(1,2,4-triazol-1-yl)methanone
SMILESCOc1ccc(C(=O)n2cncn2)cc1
InChIInChI=1S/C10H9N3O2/c1-15-9-4-2-8(3-5-9)10(14)13-7-11-6-12-13/h2-7H,1H3
InChIKeyUUOFCZMMPFGKQC-UHFFFAOYSA-N
XLogP0.98
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 11531699
CID 11531699
(3-propan-2-yloxyphenyl)-(1,2,4-triazol-1-yl)methanone
CID 91381711
(4-methoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145829
(4-methoxyphenyl)-(3-nitro-1,2,4-triazol-1-yl)methanone
CID 102577646
(5-amino-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone
CID 118796828
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
(E)-3-anilino-1-(4-methoxyphenyl)-3-prop-2-enylsulfanyl-2-(1,2,4-triazol-1-yl)prop-2-en-1-one
CID 6519053
(4-methoxyphenyl)-(4-phenyltriazol-2-yl)methanone
CID 134126257
(E)-1-(2,4-difluorophenyl)-3-(4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one
CID 141189353
(5-amino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone
CID 91256750
(4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone
CID 11194838

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(1,2,4-triazol-1-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(1,2,4-triazol-1-yl)methanone (CID 694174) is (4-methoxyphenyl)-(1,2,4-triazol-1-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(1,2,4-triazol-1-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(1,2,4-triazol-1-yl)methanone is COc1ccc(C(=O)n2cncn2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(1,2,4-triazol-1-yl)methanone?
The InChIKey is UUOFCZMMPFGKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-15-9-4-2-8(3-5-9)10(14)13-7-11-6-12-13/h2-7H,1H3.
What are the key properties of (4-methoxyphenyl)-(1,2,4-triazol-1-yl)methanone?
(4-methoxyphenyl)-(1,2,4-triazol-1-yl)methanone has a molecular weight of 203.20 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(1,2,4-triazol-1-yl)methanone is sourced from PubChem (CID 694174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).