(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

C17H21N5O2 — CID 135938217

IUPAC(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
SMILESCC(C)=C1N=C2NC(=O)C[C@H](C(=O)Nc3cc(C)ccc3C)N2N1
InChIInChI=1S/C17H21N5O2/c1-9(2)15-20-17-19-14(23)8-13(22(17)21-15)16(24)18-12-7-10(3)5-6-11(12)4/h5-7,13,21H,8H2,1-4H3,(H,18,24)(H,19,20,23)/t13-/m1/s1
InChIKeyDOXPEIHCRKTVTF-CYBMUJFWSA-N
MW327.39 g/mol
LogP1.56
Rot. Bonds2

About (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

(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 (PubChem CID 135938217) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID135938217
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name(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
SMILESCC(C)=C1N=C2NC(=O)C[C@H](C(=O)Nc3cc(C)ccc3C)N2N1
InChIInChI=1S/C17H21N5O2/c1-9(2)15-20-17-19-14(23)8-13(22(17)21-15)16(24)18-12-7-10(3)5-6-11(12)4/h5-7,13,21H,8H2,1-4H3,(H,18,24)(H,19,20,23)/t13-/m1/s1
InChIKeyDOXPEIHCRKTVTF-CYBMUJFWSA-N
XLogP1.56
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Related Compounds

(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
(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
N-(2,5-dimethylphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 4911953
N-(2,5-dimethylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687327
4-amino-N-(2,5-dimethylphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 43854398
N-(2,5-dimethylphenyl)piperidine-4-carboxamide
CID 18073176
(2R)-N-(2,5-dimethylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 92850386
N-(2,5-dimethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112520843
(5R)-N-(2,5-dimethylphenyl)-2-[(2R)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137028153
(5S)-2-anilino-N-(2,5-dimethylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875957
N-(2,5-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 651651

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)=C1N=C2NC(=O)C[C@H](C(=O)Nc3cc(C)ccc3C)N2N1.
What is the InChIKey of (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?
The InChIKey is DOXPEIHCRKTVTF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-9(2)15-20-17-19-14(23)8-13(22(17)21-15)16(24)18-12-7-10(3)5-6-11(12)4/h5-7,13,21H,8H2,1-4H3,(H,18,24)(H,19,20,23)/t13-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 327.39 g/mol, XLogP of 1.56, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 135938217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).