(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

C14H16N6O2 — CID 135881597

IUPAC(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
SMILESCC(C)=C1N=C2NC(=O)C[C@@H](C(=O)Nc3ccncc3)N2N1
InChIInChI=1S/C14H16N6O2/c1-8(2)12-18-14-17-11(21)7-10(20(14)19-12)13(22)16-9-3-5-15-6-4-9/h3-6,10,19H,7H2,1-2H3,(H,15,16,22)(H,17,18,21)/t10-/m0/s1
InChIKeyKMWYBARQANUYFX-JTQLQIEISA-N
MW300.32 g/mol
LogP0.34
Rot. Bonds2

About (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

(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 (PubChem CID 135881597) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID135881597
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name(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
SMILESCC(C)=C1N=C2NC(=O)C[C@@H](C(=O)Nc3ccncc3)N2N1
InChIInChI=1S/C14H16N6O2/c1-8(2)12-18-14-17-11(21)7-10(20(14)19-12)13(22)16-9-3-5-15-6-4-9/h3-6,10,19H,7H2,1-2H3,(H,15,16,22)(H,17,18,21)/t10-/m0/s1
InChIKeyKMWYBARQANUYFX-JTQLQIEISA-N
XLogP0.34
TPSA98.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Related Compounds

(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
(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
(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
N-(4-acetamidophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 3160703
(7R)-N-(4-acetamidophenyl)-3-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135902756
1-methyl-N-pyridin-4-ylpiperazine-2-carboxamide
CID 115177729
(7R)-2-benzylsulfanyl-5-oxo-N-pyridin-4-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135934192
N,2-bis(3-chlorophenyl)-3-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135654681
4-acetyl-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 170566312
(4R)-N-(4-acetamidophenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
CID 135682767
(4S)-N-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 7442098
2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 45352995

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)=C1N=C2NC(=O)C[C@@H](C(=O)Nc3ccncc3)N2N1.
What is the InChIKey of (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?
The InChIKey is KMWYBARQANUYFX-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N6O2/c1-8(2)12-18-14-17-11(21)7-10(20(14)19-12)13(22)16-9-3-5-15-6-4-9/h3-6,10,19H,7H2,1-2H3,(H,15,16,22)(H,17,18,21)/t10-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 300.32 g/mol, XLogP of 0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 135881597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).