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

C20H17N5O3 — CID 110300450

IUPACN-(2,4-dimethoxyphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3nnc4ncccn34)cc2)c(OC)c1
InChIInChI=1S/C20H17N5O3/c1-27-15-8-9-16(17(12-15)28-2)22-19(26)14-6-4-13(5-7-14)18-23-24-20-21-10-3-11-25(18)20/h3-12H,1-2H3,(H,22,26)
InChIKeyKYGLPKUMRDHTIG-UHFFFAOYSA-N
MW375.39 g/mol
LogP3.06
Rot. Bonds5

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

N-(2,4-dimethoxyphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide (PubChem CID 110300450) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
PubChem CID110300450
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC NameN-(2,4-dimethoxyphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3nnc4ncccn34)cc2)c(OC)c1
InChIInChI=1S/C20H17N5O3/c1-27-15-8-9-16(17(12-15)28-2)22-19(26)14-6-4-13(5-7-14)18-23-24-20-21-10-3-11-25(18)20/h3-12H,1-2H3,(H,22,26)
InChIKeyKYGLPKUMRDHTIG-UHFFFAOYSA-N
XLogP3.06
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-dimethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300415
N-(2,4-difluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300473
N-(2-ethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300421
N-(2-bromophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300467
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
N-(2,4-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18141970
N-(2,4-dimethoxyphenyl)-4-pyrrol-1-ylbenzamide
CID 24536376
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-(2,4-dimethoxyphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 50777051
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
1-N-(2,4-dimethoxyphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043198

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide (CID 110300450) is N-(2,4-dimethoxyphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide is COc1ccc(NC(=O)c2ccc(-c3nnc4ncccn34)cc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide?
The InChIKey is KYGLPKUMRDHTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-27-15-8-9-16(17(12-15)28-2)22-19(26)14-6-4-13(5-7-14)18-23-24-20-21-10-3-11-25(18)20/h3-12H,1-2H3,(H,22,26).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide?
N-(2,4-dimethoxyphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide has a molecular weight of 375.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide is sourced from PubChem (CID 110300450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).