(2-cyclopropyl-6-methylmorpholin-4-yl)-(1,5-diphenyl-1,2,4-triazol-3-yl)methanone

C23H24N4O2 — CID 166219278

IUPAC(2-cyclopropyl-6-methylmorpholin-4-yl)-(1,5-diphenyl-1,2,4-triazol-3-yl)methanone
SMILESCC1CN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CC(C2CC2)O1
InChIInChI=1S/C23H24N4O2/c1-16-14-26(15-20(29-16)17-12-13-17)23(28)21-24-22(18-8-4-2-5-9-18)27(25-21)19-10-6-3-7-11-19/h2-11,16-17,20H,12-15H2,1H3
InChIKeyRXSCWJAXSKHHPS-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.57
Rot. Bonds4

About (2-cyclopropyl-6-methylmorpholin-4-yl)-(1,5-diphenyl-1,2,4-triazol-3-yl)methanone

(2-cyclopropyl-6-methylmorpholin-4-yl)-(1,5-diphenyl-1,2,4-triazol-3-yl)methanone (PubChem CID 166219278) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is (2-cyclopropyl-6-methylmorpholin-4-yl)-(1,5-diphenyl-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name(2-cyclopropyl-6-methylmorpholin-4-yl)-(1,5-diphenyl-1,2,4-triazol-3-yl)methanone
PubChem CID166219278
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name(2-cyclopropyl-6-methylmorpholin-4-yl)-(1,5-diphenyl-1,2,4-triazol-3-yl)methanone
SMILESCC1CN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CC(C2CC2)O1
InChIInChI=1S/C23H24N4O2/c1-16-14-26(15-20(29-16)17-12-13-17)23(28)21-24-22(18-8-4-2-5-9-18)27(25-21)19-10-6-3-7-11-19/h2-11,16-17,20H,12-15H2,1H3
InChIKeyRXSCWJAXSKHHPS-UHFFFAOYSA-N
XLogP3.57
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1,5-diphenyl-1,2,4-triazol-3-yl)-(9-thia-3-azabicyclo[4.2.1]nonan-3-yl)methanone
CID 166246859
(1,5-diphenyl-1,2,4-triazol-3-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119538948
3-azabicyclo[3.1.0]hexan-3-yl-[5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanone
CID 166246807
[1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-pyrrolidin-1-ylmethanone
CID 17052372
(4-chlorophenyl)-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone
CID 46555232
2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-c][1,3]oxazin-6-one
CID 166191015
(1,5-diphenyl-1,2,4-triazol-3-yl)-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 25363059
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(1,5-diphenyl-1,2,4-triazol-3-yl)methanone
CID 55803622
(2,6-dimethylmorpholin-4-yl)-(4-phenylphenyl)methanone
CID 3118736
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-phenylphenyl)methanone
CID 7316313
[5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone
CID 50745397
(1,5-diphenyl-1,2,4-triazol-3-yl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone
CID 112799070

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-6-methylmorpholin-4-yl)-(1,5-diphenyl-1,2,4-triazol-3-yl)methanone?
The IUPAC name of (2-cyclopropyl-6-methylmorpholin-4-yl)-(1,5-diphenyl-1,2,4-triazol-3-yl)methanone (CID 166219278) is (2-cyclopropyl-6-methylmorpholin-4-yl)-(1,5-diphenyl-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for (2-cyclopropyl-6-methylmorpholin-4-yl)-(1,5-diphenyl-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for (2-cyclopropyl-6-methylmorpholin-4-yl)-(1,5-diphenyl-1,2,4-triazol-3-yl)methanone is CC1CN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CC(C2CC2)O1.
What is the InChIKey of (2-cyclopropyl-6-methylmorpholin-4-yl)-(1,5-diphenyl-1,2,4-triazol-3-yl)methanone?
The InChIKey is RXSCWJAXSKHHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16-14-26(15-20(29-16)17-12-13-17)23(28)21-24-22(18-8-4-2-5-9-18)27(25-21)19-10-6-3-7-11-19/h2-11,16-17,20H,12-15H2,1H3.
What are the key properties of (2-cyclopropyl-6-methylmorpholin-4-yl)-(1,5-diphenyl-1,2,4-triazol-3-yl)methanone?
(2-cyclopropyl-6-methylmorpholin-4-yl)-(1,5-diphenyl-1,2,4-triazol-3-yl)methanone has a molecular weight of 388.47 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-6-methylmorpholin-4-yl)-(1,5-diphenyl-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 166219278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).