(5-chloro-2-methoxyphenyl)-(3-ethyltriazol-4-yl)methanone

C12H12ClN3O2 — CID 114213437

IUPAC(5-chloro-2-methoxyphenyl)-(3-ethyltriazol-4-yl)methanone
SMILESCCn1nncc1C(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C12H12ClN3O2/c1-3-16-10(7-14-15-16)12(17)9-6-8(13)4-5-11(9)18-2/h4-7H,3H2,1-2H3
InChIKeyFZMGVVVZPGDTBM-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.19
Rot. Bonds4

About (5-chloro-2-methoxyphenyl)-(3-ethyltriazol-4-yl)methanone

(5-chloro-2-methoxyphenyl)-(3-ethyltriazol-4-yl)methanone (PubChem CID 114213437) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(3-ethyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(3-ethyltriazol-4-yl)methanone
PubChem CID114213437
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name(5-chloro-2-methoxyphenyl)-(3-ethyltriazol-4-yl)methanone
SMILESCCn1nncc1C(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C12H12ClN3O2/c1-3-16-10(7-14-15-16)12(17)9-6-8(13)4-5-11(9)18-2/h4-7H,3H2,1-2H3
InChIKeyFZMGVVVZPGDTBM-UHFFFAOYSA-N
XLogP2.19
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromo-2-methoxyphenyl)-(3-ethyltriazol-4-yl)methanone
CID 112742131
(3-ethyltriazol-4-yl)-(2-methoxy-4-methylphenyl)methanone
CID 114213089
(5-chloro-2-methoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 115810197
(2-amino-3-methoxyphenyl)-(3-ethyltriazol-4-yl)methanone
CID 114213093
[3-[(5-chloro-2-methoxyphenyl)methyl]triazol-4-yl]-phenylmethanone
CID 11163239
(5-chloro-2-methoxyphenyl)-(1-propylpyrazol-4-yl)methanone
CID 114963832
(5-chloro-2-methoxyphenyl)-(2,4-dichlorophenyl)methanone
CID 63492522
(2-ethylpyrazol-3-yl)-(2-methoxy-5-methylphenyl)methanone
CID 114972499
N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
CID 848311
5-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide
CID 19454392
5-chloro-2-methoxybenzoate
CID 6933314
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(3-ethyltriazol-4-yl)methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(3-ethyltriazol-4-yl)methanone (CID 114213437) is (5-chloro-2-methoxyphenyl)-(3-ethyltriazol-4-yl)methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(3-ethyltriazol-4-yl)methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(3-ethyltriazol-4-yl)methanone is CCn1nncc1C(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(3-ethyltriazol-4-yl)methanone?
The InChIKey is FZMGVVVZPGDTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-3-16-10(7-14-15-16)12(17)9-6-8(13)4-5-11(9)18-2/h4-7H,3H2,1-2H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(3-ethyltriazol-4-yl)methanone?
(5-chloro-2-methoxyphenyl)-(3-ethyltriazol-4-yl)methanone has a molecular weight of 265.70 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(3-ethyltriazol-4-yl)methanone is sourced from PubChem (CID 114213437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).