(7R)-2-ethyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

C13H19N5O3 — CID 135915566

IUPAC(7R)-2-ethyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCCc1nc2n(n1)[C@@H](C(=O)NC[C@@H]1CCCO1)CC(=O)N2
InChIInChI=1S/C13H19N5O3/c1-2-10-15-13-16-11(19)6-9(18(13)17-10)12(20)14-7-8-4-3-5-21-8/h8-9H,2-7H2,1H3,(H,14,20)(H,15,16,17,19)/t8-,9+/m0/s1
InChIKeyJWHOVMXFTRWHSI-DTWKUNHWSA-N
MW293.33 g/mol
LogP0.02
Rot. Bonds4

About (7R)-2-ethyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

(7R)-2-ethyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135915566) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is (7R)-2-ethyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name(7R)-2-ethyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID135915566
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name(7R)-2-ethyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCCc1nc2n(n1)[C@@H](C(=O)NC[C@@H]1CCCO1)CC(=O)N2
InChIInChI=1S/C13H19N5O3/c1-2-10-15-13-16-11(19)6-9(18(13)17-10)12(20)14-7-8-4-3-5-21-8/h8-9H,2-7H2,1H3,(H,14,20)(H,15,16,17,19)/t8-,9+/m0/s1
InChIKeyJWHOVMXFTRWHSI-DTWKUNHWSA-N
XLogP0.02
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (7R)-2-ethyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide with MolForge

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Related Compounds

(7S)-2-butyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135927674
(7R)-2-butyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135927677
5-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135786463
(7S)-N-(4-acetamidophenyl)-5-oxo-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135958099
2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 110849464
(3S,7aS)-7a-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 124838298
2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 5056915
5-oxo-N-(oxolan-2-ylmethyl)morpholine-3-carboxamide
CID 110696695
(2R)-1-methylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 124748947
2-methylsulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 51109505
N-(oxolan-2-ylmethyl)azetidine-2-carboxamide
CID 130964235
2-(2-ethylquinazolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 3749912

Frequently Asked Questions

What is the IUPAC name of (7R)-2-ethyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of (7R)-2-ethyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (CID 135915566) is (7R)-2-ethyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for (7R)-2-ethyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for (7R)-2-ethyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is CCc1nc2n(n1)[C@@H](C(=O)NC[C@@H]1CCCO1)CC(=O)N2.
What is the InChIKey of (7R)-2-ethyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is JWHOVMXFTRWHSI-DTWKUNHWSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-2-10-15-13-16-11(19)6-9(18(13)17-10)12(20)14-7-8-4-3-5-21-8/h8-9H,2-7H2,1H3,(H,14,20)(H,15,16,17,19)/t8-,9+/m0/s1.
What are the key properties of (7R)-2-ethyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
(7R)-2-ethyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-ethyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135915566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).