(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

C15H23N5O3 — CID 135927674

IUPAC(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
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-/m0/s1
InChIKeyZYSPAUXSOXRKHG-QWRGUYRKSA-N
MW321.38 g/mol
LogP0.80
Rot. Bonds6

About (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

(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 (PubChem CID 135927674) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID135927674
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name(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
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-/m0/s1
InChIKeyZYSPAUXSOXRKHG-QWRGUYRKSA-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 (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCCCc1nc2n(n1)[C@H](C(=O)NC[C@@H]1CCCO1)CC(=O)N2.
What is the InChIKey of (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?
The InChIKey is ZYSPAUXSOXRKHG-QWRGUYRKSA-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-/m0/s1.
What are the key properties of (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?
(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 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 (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 is sourced from PubChem (CID 135927674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).