N,N-dicyclohexyl-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide

C24H30N6O2 — CID 47092806

IUPACN,N-dicyclohexyl-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide
SMILESO=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C24H30N6O2/c31-21(29(18-10-4-1-5-11-18)19-12-6-2-7-13-19)16-28-17-25-23-22(24(28)32)26-27-30(23)20-14-8-3-9-15-20/h3,8-9,14-15,17-19H,1-2,4-7,10-13,16H2
InChIKeyRCAUSICDKZJXQY-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.47
Rot. Bonds5

About N,N-dicyclohexyl-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide

N,N-dicyclohexyl-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide (PubChem CID 47092806) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide
PubChem CID47092806
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC NameN,N-dicyclohexyl-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide
SMILESO=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C24H30N6O2/c31-21(29(18-10-4-1-5-11-18)19-12-6-2-7-13-19)16-28-17-25-23-22(24(28)32)26-27-30(23)20-14-8-3-9-15-20/h3,8-9,14-15,17-19H,1-2,4-7,10-13,16H2
InChIKeyRCAUSICDKZJXQY-UHFFFAOYSA-N
XLogP3.47
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one
CID 5310015
N-cyclohexyl-2-[3-(4-fluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 20869616
N-cyclopentyl-2-[3-(4-fluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 20869615
2-[3-(4-chlorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-cyclopentylacetamide
CID 7476025
6-(3-methylbut-2-enyl)-3-phenyltriazolo[4,5-d]pyrimidin-7-one
CID 154780771
2-[3-(3,4-dimethylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-methyl-N-phenylacetamide
CID 7200042
benzyl 2-[3-(4-bromophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetate
CID 40865079
2-[3-(4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-phenylacetamide
CID 7159357
N-(5-methyl-1,2-oxazol-3-yl)-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 7111159
N-(4-acetylphenyl)-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 7111137
2-(benzimidazol-1-yl)-N,N-dicyclohexylacetamide
CID 856407
N-(1,3-benzodioxol-5-ylmethyl)-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 7111154

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide?
The IUPAC name of N,N-dicyclohexyl-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide (CID 47092806) is N,N-dicyclohexyl-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide?
The canonical SMILES for N,N-dicyclohexyl-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide is O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide?
The InChIKey is RCAUSICDKZJXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c31-21(29(18-10-4-1-5-11-18)19-12-6-2-7-13-19)16-28-17-25-23-22(24(28)32)26-27-30(23)20-14-8-3-9-15-20/h3,8-9,14-15,17-19H,1-2,4-7,10-13,16H2.
What are the key properties of N,N-dicyclohexyl-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide?
N,N-dicyclohexyl-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide has a molecular weight of 434.54 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 47092806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).