(2,4-dichlorophenyl)-(3-methyltriazol-4-yl)methanone

C10H7Cl2N3O — CID 115806610

IUPAC(2,4-dichlorophenyl)-(3-methyltriazol-4-yl)methanone
SMILESCn1nncc1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H7Cl2N3O/c1-15-9(5-13-14-15)10(16)7-3-2-6(11)4-8(7)12/h2-5H,1H3
InChIKeyYFOVFKMNLCUQCC-UHFFFAOYSA-N
MW256.09 g/mol
LogP2.35
Rot. Bonds2

About (2,4-dichlorophenyl)-(3-methyltriazol-4-yl)methanone

(2,4-dichlorophenyl)-(3-methyltriazol-4-yl)methanone (PubChem CID 115806610) has the molecular formula C10H7Cl2N3O and a molecular weight of 256.09 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(3-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(3-methyltriazol-4-yl)methanone
PubChem CID115806610
Molecular FormulaC10H7Cl2N3O
Molecular Weight256.09 g/mol
Exact Mass255.00
IUPAC Name(2,4-dichlorophenyl)-(3-methyltriazol-4-yl)methanone
SMILESCn1nncc1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H7Cl2N3O/c1-15-9(5-13-14-15)10(16)7-3-2-6(11)4-8(7)12/h2-5H,1H3
InChIKeyYFOVFKMNLCUQCC-UHFFFAOYSA-N
XLogP2.35
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-4-pyridinyl)-(3-methyltriazol-4-yl)methanone
CID 105131453
(2,4-dichlorophenyl)-(3-methylimidazol-4-yl)methanone
CID 71711489
(3,4-dichlorophenyl)-(3-methyltriazol-4-yl)methanone
CID 114686112
(2-fluoro-4-methylphenyl)-(3-methyltriazol-4-yl)methanone
CID 115806795
(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 105095285
(2-chloro-4-pyridinyl)-(3-methyltriazol-4-yl)methanone
CID 114686077
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
(1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methanone
CID 102802910
(1-aminopyrrol-2-yl)-(2,4-dichlorophenyl)methanone
CID 14371423
(2-chloro-4-methylphenyl)-(3-phenyltriazol-4-yl)methanone
CID 106865176
(2,5-dibromothiophen-3-yl)-(3-methyltriazol-4-yl)methanone
CID 107967814
bis[4-(2,4-dichlorobenzoyl)-1,3-dimethylpyrazol-5-yl] carbonate
CID 13002616

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(3-methyltriazol-4-yl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(3-methyltriazol-4-yl)methanone (CID 115806610) is (2,4-dichlorophenyl)-(3-methyltriazol-4-yl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(3-methyltriazol-4-yl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(3-methyltriazol-4-yl)methanone is Cn1nncc1C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)-(3-methyltriazol-4-yl)methanone?
The InChIKey is YFOVFKMNLCUQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O/c1-15-9(5-13-14-15)10(16)7-3-2-6(11)4-8(7)12/h2-5H,1H3.
What are the key properties of (2,4-dichlorophenyl)-(3-methyltriazol-4-yl)methanone?
(2,4-dichlorophenyl)-(3-methyltriazol-4-yl)methanone has a molecular weight of 256.09 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(3-methyltriazol-4-yl)methanone is sourced from PubChem (CID 115806610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).