(7R)-N-(5-chloro-2-methylphenyl)-5-oxo-2-propan-2-ylidene-1,4,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

C16H18ClN5O2 — CID 135938199

IUPAC(7R)-N-(5-chloro-2-methylphenyl)-5-oxo-2-propan-2-ylidene-1,4,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCC(C)=C1N=C2NC(=O)C[C@H](C(=O)Nc3cc(Cl)ccc3C)N2N1
InChIInChI=1S/C16H18ClN5O2/c1-8(2)14-20-16-19-13(23)7-12(22(16)21-14)15(24)18-11-6-10(17)5-4-9(11)3/h4-6,12,21H,7H2,1-3H3,(H,18,24)(H,19,20,23)/t12-/m1/s1
InChIKeyIBQGPCYVVACCFC-GFCCVEGCSA-N
MW347.81 g/mol
LogP1.90
Rot. Bonds2

About (7R)-N-(5-chloro-2-methylphenyl)-5-oxo-2-propan-2-ylidene-1,4,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

(7R)-N-(5-chloro-2-methylphenyl)-5-oxo-2-propan-2-ylidene-1,4,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135938199) has the molecular formula C16H18ClN5O2 and a molecular weight of 347.81 g/mol. Its IUPAC name is (7R)-N-(5-chloro-2-methylphenyl)-5-oxo-2-propan-2-ylidene-1,4,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name(7R)-N-(5-chloro-2-methylphenyl)-5-oxo-2-propan-2-ylidene-1,4,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID135938199
Molecular FormulaC16H18ClN5O2
Molecular Weight347.81 g/mol
Exact Mass347.11
IUPAC Name(7R)-N-(5-chloro-2-methylphenyl)-5-oxo-2-propan-2-ylidene-1,4,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCC(C)=C1N=C2NC(=O)C[C@H](C(=O)Nc3cc(Cl)ccc3C)N2N1
InChIInChI=1S/C16H18ClN5O2/c1-8(2)14-20-16-19-13(23)7-12(22(16)21-14)15(24)18-11-6-10(17)5-4-9(11)3/h4-6,12,21H,7H2,1-3H3,(H,18,24)(H,19,20,23)/t12-/m1/s1
InChIKeyIBQGPCYVVACCFC-GFCCVEGCSA-N
XLogP1.90
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (7R)-N-(5-chloro-2-methylphenyl)-5-oxo-2-propan-2-ylidene-1,4,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide with MolForge

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Related Compounds

(7R)-N-(2,5-dimethylphenyl)-5-oxo-2-propan-2-ylidene-1,4,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135938217
(7S)-5-oxo-2-propan-2-ylidene-N-pyridin-4-yl-1,4,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135881597
(7S)-N-(4-ethoxyphenyl)-5-oxo-2-propan-2-ylidene-1,4,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135938182
methyl (4S)-4-[(5-chloro-2-methylphenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 41090528
2-amino-N-(5-chloro-2-methylphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide
CID 2899842
ethyl (4R)-4-[(5-chloro-2-methylphenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 7447038
N-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135633526
(5S)-4-amino-N-(5-chloro-2-methylphenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 29158757
4-amino-N-(5-chloro-2-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 17228965
(4S)-N-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7430706
(4R)-N-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7430707
1-benzoyl-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-2-carboxamide
CID 20954591

Frequently Asked Questions

What is the IUPAC name of (7R)-N-(5-chloro-2-methylphenyl)-5-oxo-2-propan-2-ylidene-1,4,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of (7R)-N-(5-chloro-2-methylphenyl)-5-oxo-2-propan-2-ylidene-1,4,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (CID 135938199) is (7R)-N-(5-chloro-2-methylphenyl)-5-oxo-2-propan-2-ylidene-1,4,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for (7R)-N-(5-chloro-2-methylphenyl)-5-oxo-2-propan-2-ylidene-1,4,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for (7R)-N-(5-chloro-2-methylphenyl)-5-oxo-2-propan-2-ylidene-1,4,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is CC(C)=C1N=C2NC(=O)C[C@H](C(=O)Nc3cc(Cl)ccc3C)N2N1.
What is the InChIKey of (7R)-N-(5-chloro-2-methylphenyl)-5-oxo-2-propan-2-ylidene-1,4,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is IBQGPCYVVACCFC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18ClN5O2/c1-8(2)14-20-16-19-13(23)7-12(22(16)21-14)15(24)18-11-6-10(17)5-4-9(11)3/h4-6,12,21H,7H2,1-3H3,(H,18,24)(H,19,20,23)/t12-/m1/s1.
What are the key properties of (7R)-N-(5-chloro-2-methylphenyl)-5-oxo-2-propan-2-ylidene-1,4,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
(7R)-N-(5-chloro-2-methylphenyl)-5-oxo-2-propan-2-ylidene-1,4,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 347.81 g/mol, XLogP of 1.90, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-N-(5-chloro-2-methylphenyl)-5-oxo-2-propan-2-ylidene-1,4,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135938199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).