N-(2-ethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide

C20H17N5O — CID 110300421

IUPACN-(2-ethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(-c2nnc3ncccn23)cc1
InChIInChI=1S/C20H17N5O/c1-2-14-6-3-4-7-17(14)22-19(26)16-10-8-15(9-11-16)18-23-24-20-21-12-5-13-25(18)20/h3-13H,2H2,1H3,(H,22,26)
InChIKeyRPCJXGWKLBSGDC-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.61
Rot. Bonds4

About N-(2-ethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide

N-(2-ethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide (PubChem CID 110300421) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
PubChem CID110300421
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-(2-ethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(-c2nnc3ncccn23)cc1
InChIInChI=1S/C20H17N5O/c1-2-14-6-3-4-7-17(14)22-19(26)16-10-8-15(9-11-16)18-23-24-20-21-12-5-13-25(18)20/h3-13H,2H2,1H3,(H,22,26)
InChIKeyRPCJXGWKLBSGDC-UHFFFAOYSA-N
XLogP3.61
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300467
N-(2,4-dimethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300415
N-(5-acetyl-2-methylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110618449
N-(2,4-difluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300473
N-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300429
N-(2,4-dimethoxyphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300450
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110427025
N,N-dipropyl-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300405
N-(2-ethylphenyl)-4-pyrazol-1-ylbenzamide
CID 2992386
N-[(2-oxo-1H-quinolin-3-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110413329
N-(2-ethylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62167285
4-carbamothioyl-N-(2-ethylphenyl)benzamide
CID 24701892

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide?
The IUPAC name of N-(2-ethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide (CID 110300421) is N-(2-ethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide?
The canonical SMILES for N-(2-ethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide is CCc1ccccc1NC(=O)c1ccc(-c2nnc3ncccn23)cc1.
What is the InChIKey of N-(2-ethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide?
The InChIKey is RPCJXGWKLBSGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-2-14-6-3-4-7-17(14)22-19(26)16-10-8-15(9-11-16)18-23-24-20-21-12-5-13-25(18)20/h3-13H,2H2,1H3,(H,22,26).
What are the key properties of N-(2-ethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide?
N-(2-ethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide has a molecular weight of 343.39 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide is sourced from PubChem (CID 110300421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).