N-(3-chloro-4-ethoxyphenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

C17H18ClN5O2 — CID 87006733

IUPACN-(3-chloro-4-ethoxyphenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCCOc1ccc(NC(=O)Cc2nc3nc(C)cc(C)n3n2)cc1Cl
InChIInChI=1S/C17H18ClN5O2/c1-4-25-14-6-5-12(8-13(14)18)20-16(24)9-15-21-17-19-10(2)7-11(3)23(17)22-15/h5-8H,4,9H2,1-3H3,(H,20,24)
InChIKeyFRTYQYIGSLBFRL-UHFFFAOYSA-N
MW359.82 g/mol
LogP2.97
Rot. Bonds5

About N-(3-chloro-4-ethoxyphenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

N-(3-chloro-4-ethoxyphenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (PubChem CID 87006733) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is N-(3-chloro-4-ethoxyphenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-ethoxyphenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
PubChem CID87006733
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC NameN-(3-chloro-4-ethoxyphenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCCOc1ccc(NC(=O)Cc2nc3nc(C)cc(C)n3n2)cc1Cl
InChIInChI=1S/C17H18ClN5O2/c1-4-25-14-6-5-12(8-13(14)18)20-16(24)9-15-21-17-19-10(2)7-11(3)23(17)22-15/h5-8H,4,9H2,1-3H3,(H,20,24)
InChIKeyFRTYQYIGSLBFRL-UHFFFAOYSA-N
XLogP2.97
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-chlorophenoxy)phenyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 38808612
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
CID 86843694
N-(1,3-benzodioxol-5-yl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 38766637
N-(3-chloro-4-methoxyphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
CID 2669542
[2-(3,4-dichloroanilino)-2-oxoethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 4006355
N-[(2-chlorophenyl)methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 3390597
2-(tert-butylamino)-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 49488972
N-(2,5-diethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17462345
3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea
CID 19834572
2-anilino-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 60927630
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 110893825
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2569760

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-ethoxyphenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The IUPAC name of N-(3-chloro-4-ethoxyphenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (CID 87006733) is N-(3-chloro-4-ethoxyphenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-ethoxyphenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-ethoxyphenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is CCOc1ccc(NC(=O)Cc2nc3nc(C)cc(C)n3n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-ethoxyphenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The InChIKey is FRTYQYIGSLBFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c1-4-25-14-6-5-12(8-13(14)18)20-16(24)9-15-21-17-19-10(2)7-11(3)23(17)22-15/h5-8H,4,9H2,1-3H3,(H,20,24).
What are the key properties of N-(3-chloro-4-ethoxyphenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
N-(3-chloro-4-ethoxyphenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide has a molecular weight of 359.82 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-ethoxyphenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 87006733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).