[2-(3-chlorophenyl)-5-methyltriazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone

C16H19ClN4O2 — CID 35021738

IUPAC[2-(3-chlorophenyl)-5-methyltriazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCc1nn(-c2cccc(Cl)c2)nc1C(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C16H19ClN4O2/c1-11-14(15(22)20-7-8-23-16(2,3)10-20)19-21(18-11)13-6-4-5-12(17)9-13/h4-6,9H,7-8,10H2,1-3H3
InChIKeyYZEXEQKKDAJNPA-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.48
Rot. Bonds2

About [2-(3-chlorophenyl)-5-methyltriazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone

[2-(3-chlorophenyl)-5-methyltriazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone (PubChem CID 35021738) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-5-methyltriazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-5-methyltriazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone
PubChem CID35021738
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name[2-(3-chlorophenyl)-5-methyltriazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCc1nn(-c2cccc(Cl)c2)nc1C(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C16H19ClN4O2/c1-11-14(15(22)20-7-8-23-16(2,3)10-20)19-21(18-11)13-6-4-5-12(17)9-13/h4-6,9H,7-8,10H2,1-3H3
InChIKeyYZEXEQKKDAJNPA-UHFFFAOYSA-N
XLogP2.48
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)-5-methyltriazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [2-(3-chlorophenyl)-5-methyltriazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone (CID 35021738) is [2-(3-chlorophenyl)-5-methyltriazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [2-(3-chlorophenyl)-5-methyltriazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [2-(3-chlorophenyl)-5-methyltriazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone is Cc1nn(-c2cccc(Cl)c2)nc1C(=O)N1CCOC(C)(C)C1.
What is the InChIKey of [2-(3-chlorophenyl)-5-methyltriazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone?
The InChIKey is YZEXEQKKDAJNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-11-14(15(22)20-7-8-23-16(2,3)10-20)19-21(18-11)13-6-4-5-12(17)9-13/h4-6,9H,7-8,10H2,1-3H3.
What are the key properties of [2-(3-chlorophenyl)-5-methyltriazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone?
[2-(3-chlorophenyl)-5-methyltriazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone has a molecular weight of 334.81 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)-5-methyltriazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 35021738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).