N-(5-oxo-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide

C18H19N5O2 — CID 135519712

IUPACN-(5-oxo-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide
SMILESO=C(Nc1cc(=O)[nH]c2nc(-c3ccccc3)nn12)C1CCCCC1
InChIInChI=1S/C18H19N5O2/c24-15-11-14(19-17(25)13-9-5-2-6-10-13)23-18(20-15)21-16(22-23)12-7-3-1-4-8-12/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,19,25)(H,20,21,22,24)
InChIKeyFLDZYYVEXJTIQI-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.60
Rot. Bonds3

About N-(5-oxo-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide

N-(5-oxo-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide (PubChem CID 135519712) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(5-oxo-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(5-oxo-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide
PubChem CID135519712
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-(5-oxo-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide
SMILESO=C(Nc1cc(=O)[nH]c2nc(-c3ccccc3)nn12)C1CCCCC1
InChIInChI=1S/C18H19N5O2/c24-15-11-14(19-17(25)13-9-5-2-6-10-13)23-18(20-15)21-16(22-23)12-7-3-1-4-8-12/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,19,25)(H,20,21,22,24)
InChIKeyFLDZYYVEXJTIQI-UHFFFAOYSA-N
XLogP2.60
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 135400063
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CID 570244
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CID 135400147
CID 135400147
CID 135400174
CID 135400174
CID 135520923
CID 135520923
CID 970657
CID 970657
CID 20974734
CID 20974734
CID 135448486
CID 135448486
CID 135448581
CID 135448581
CID 135472128
CID 135472128
CID 828600
CID 828600
CID 828601
CID 828601

Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide?
The IUPAC name of N-(5-oxo-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide (CID 135519712) is N-(5-oxo-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(5-oxo-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(5-oxo-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide is O=C(Nc1cc(=O)[nH]c2nc(-c3ccccc3)nn12)C1CCCCC1.
What is the InChIKey of N-(5-oxo-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide?
The InChIKey is FLDZYYVEXJTIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-15-11-14(19-17(25)13-9-5-2-6-10-13)23-18(20-15)21-16(22-23)12-7-3-1-4-8-12/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,19,25)(H,20,21,22,24).
What are the key properties of N-(5-oxo-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide?
N-(5-oxo-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide is sourced from PubChem (CID 135519712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).