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

C19H21N5O2 — CID 135465213

IUPACN-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide
SMILESO=C(Nc1cc(=O)[nH]c2nc(Cc3ccccc3)nn12)C1CCCCC1
InChIInChI=1S/C19H21N5O2/c25-17-12-16(21-18(26)14-9-5-2-6-10-14)24-19(22-17)20-15(23-24)11-13-7-3-1-4-8-13/h1,3-4,7-8,12,14H,2,5-6,9-11H2,(H,21,26)(H,20,22,23,25)
InChIKeyDGHPXIRYXNIJSN-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.53
Rot. Bonds4

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

N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide (PubChem CID 135465213) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide
PubChem CID135465213
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide
SMILESO=C(Nc1cc(=O)[nH]c2nc(Cc3ccccc3)nn12)C1CCCCC1
InChIInChI=1S/C19H21N5O2/c25-17-12-16(21-18(26)14-9-5-2-6-10-14)24-19(22-17)20-15(23-24)11-13-7-3-1-4-8-13/h1,3-4,7-8,12,14H,2,5-6,9-11H2,(H,21,26)(H,20,22,23,25)
InChIKeyDGHPXIRYXNIJSN-UHFFFAOYSA-N
XLogP2.53
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-hydroxy-2-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-methylpropanamide
CID 135520923
N-[5-hydroxy-2-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-methylpropanamide
CID 135448581
N-(5-hydroxy-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methylbutanamide
CID 135472128
N-(5-hydroxy-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide
CID 135519712
3-phenyl-1-(phenylacetyl)-1H-1,2,4-triazol-5-amine
CID 969682
3-phenyl-N-(3-phenyl-1H-1,2,4-triazol-5-yl)propanamide
CID 17487156
6,6,13-Trimethyl-2-phenyl-9,11,12,14,16-pentazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),12,14-tetraene-4,17-dione
CID 135417573
6-(4-ethylphenyl)-2,9,9-trimethyl-6,9,10,11-tetrahydro[1,2,4]triazolo[5',1':2,3]pyrimido[4,5-b]quinoline-5,7(4H,8H)-dione
CID 135417574
6-(4-fluorophenyl)-2,9,9-trimethyl-6,9,10,11-tetrahydro[1,2,4]triazolo[5',1':2,3]pyrimido[4,5-b]quinoline-5,7(4H,8H)-dione
CID 135417576
2-cyclohexyl-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 502194
1-(5-Amino-3-phenyl-1,2,4-triazol-1-yl)-3-phenylpropan-1-one
CID 828603
7-methyl-2-phenacyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 136747705

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide?
The IUPAC name of N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide (CID 135465213) is N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide is O=C(Nc1cc(=O)[nH]c2nc(Cc3ccccc3)nn12)C1CCCCC1.
What is the InChIKey of N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide?
The InChIKey is DGHPXIRYXNIJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-17-12-16(21-18(26)14-9-5-2-6-10-14)24-19(22-17)20-15(23-24)11-13-7-3-1-4-8-13/h1,3-4,7-8,12,14H,2,5-6,9-11H2,(H,21,26)(H,20,22,23,25).
What are the key properties of N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide?
N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide is sourced from PubChem (CID 135465213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).