(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

C15H23N5O3 — CID 135927677

IUPAC(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
SMILESCCCCc1nc2n(n1)[C@@H](C(=O)NC[C@H]1CCCO1)CC(=O)N2
InChIInChI=1S/C15H23N5O3/c1-2-3-6-12-17-15-18-13(21)8-11(20(15)19-12)14(22)16-9-10-5-4-7-23-10/h10-11H,2-9H2,1H3,(H,16,22)(H,17,18,19,21)/t10-,11-/m1/s1
InChIKeyZYSPAUXSOXRKHG-GHMZBOCLSA-N
MW321.38 g/mol
LogP0.80
Rot. Bonds6

About (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

(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 (PubChem CID 135927677) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID135927677
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name(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
SMILESCCCCc1nc2n(n1)[C@@H](C(=O)NC[C@H]1CCCO1)CC(=O)N2
InChIInChI=1S/C15H23N5O3/c1-2-3-6-12-17-15-18-13(21)8-11(20(15)19-12)14(22)16-9-10-5-4-7-23-10/h10-11H,2-9H2,1H3,(H,16,22)(H,17,18,19,21)/t10-,11-/m1/s1
InChIKeyZYSPAUXSOXRKHG-GHMZBOCLSA-N
XLogP0.80
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Launch Full Analysis

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-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
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-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 60518165
6-(butylamino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109361556
2-(butylamino)-N-(oxolan-2-ylmethyl)acetamide
CID 54815697
2-bromo-N-(oxolan-2-ylmethyl)hexanamide
CID 110839202
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-(hexadecylamino)-N-(oxolan-2-ylmethyl)acetamide
CID 54808872
5-oxo-N-(oxolan-2-ylmethyl)morpholine-3-carboxamide
CID 110696695

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCCCc1nc2n(n1)[C@@H](C(=O)NC[C@H]1CCCO1)CC(=O)N2.
What is the InChIKey of (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?
The InChIKey is ZYSPAUXSOXRKHG-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-2-3-6-12-17-15-18-13(21)8-11(20(15)19-12)14(22)16-9-10-5-4-7-23-10/h10-11H,2-9H2,1H3,(H,16,22)(H,17,18,19,21)/t10-,11-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 321.38 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 135927677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).