N-cyclohexyl-2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide

C20H23N5O2 — CID 50927035

IUPACN-cyclohexyl-2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide
SMILESCc1nc(-c2ccccc2)cc2nn(CC(=O)NC3CCCCC3)c(=O)n12
InChIInChI=1S/C20H23N5O2/c1-14-21-17(15-8-4-2-5-9-15)12-18-23-24(20(27)25(14)18)13-19(26)22-16-10-6-3-7-11-16/h2,4-5,8-9,12,16H,3,6-7,10-11,13H2,1H3,(H,22,26)
InChIKeyQRSBZBPQOPVROM-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.32
Rot. Bonds4

About N-cyclohexyl-2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide

N-cyclohexyl-2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide (PubChem CID 50927035) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-cyclohexyl-2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide
PubChem CID50927035
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-cyclohexyl-2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide
SMILESCc1nc(-c2ccccc2)cc2nn(CC(=O)NC3CCCCC3)c(=O)n12
InChIInChI=1S/C20H23N5O2/c1-14-21-17(15-8-4-2-5-9-15)12-18-23-24(20(27)25(14)18)13-19(26)22-16-10-6-3-7-11-16/h2,4-5,8-9,12,16H,3,6-7,10-11,13H2,1H3,(H,22,26)
InChIKeyQRSBZBPQOPVROM-UHFFFAOYSA-N
XLogP2.32
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide (CID 50927035) is N-cyclohexyl-2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide is Cc1nc(-c2ccccc2)cc2nn(CC(=O)NC3CCCCC3)c(=O)n12.
What is the InChIKey of N-cyclohexyl-2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide?
The InChIKey is QRSBZBPQOPVROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14-21-17(15-8-4-2-5-9-15)12-18-23-24(20(27)25(14)18)13-19(26)22-16-10-6-3-7-11-16/h2,4-5,8-9,12,16H,3,6-7,10-11,13H2,1H3,(H,22,26).
What are the key properties of N-cyclohexyl-2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide?
N-cyclohexyl-2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide has a molecular weight of 365.44 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 50927035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).