N-[5-methyl-1-(oxolane-2-carbonyl)pyrrolidin-3-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

C17H22N6O3 — CID 167811288

IUPACN-[5-methyl-1-(oxolane-2-carbonyl)pyrrolidin-3-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCC1CC(NC(=O)Cc2nc3ncccn3n2)CN1C(=O)C1CCCO1
InChIInChI=1S/C17H22N6O3/c1-11-8-12(10-22(11)16(25)13-4-2-7-26-13)19-15(24)9-14-20-17-18-5-3-6-23(17)21-14/h3,5-6,11-13H,2,4,7-10H2,1H3,(H,19,24)
InChIKeyKMOGJIUIUCDTIY-UHFFFAOYSA-N
MW358.40 g/mol
LogP-0.05
Rot. Bonds4

About N-[5-methyl-1-(oxolane-2-carbonyl)pyrrolidin-3-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

N-[5-methyl-1-(oxolane-2-carbonyl)pyrrolidin-3-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (PubChem CID 167811288) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[5-methyl-1-(oxolane-2-carbonyl)pyrrolidin-3-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-[5-methyl-1-(oxolane-2-carbonyl)pyrrolidin-3-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
PubChem CID167811288
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC NameN-[5-methyl-1-(oxolane-2-carbonyl)pyrrolidin-3-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCC1CC(NC(=O)Cc2nc3ncccn3n2)CN1C(=O)C1CCCO1
InChIInChI=1S/C17H22N6O3/c1-11-8-12(10-22(11)16(25)13-4-2-7-26-13)19-15(24)9-14-20-17-18-5-3-6-23(17)21-14/h3,5-6,11-13H,2,4,7-10H2,1H3,(H,19,24)
InChIKeyKMOGJIUIUCDTIY-UHFFFAOYSA-N
XLogP-0.05
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-1-(oxolane-2-carbonyl)pyrrolidin-3-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The IUPAC name of N-[5-methyl-1-(oxolane-2-carbonyl)pyrrolidin-3-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (CID 167811288) is N-[5-methyl-1-(oxolane-2-carbonyl)pyrrolidin-3-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-[5-methyl-1-(oxolane-2-carbonyl)pyrrolidin-3-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The canonical SMILES for N-[5-methyl-1-(oxolane-2-carbonyl)pyrrolidin-3-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is CC1CC(NC(=O)Cc2nc3ncccn3n2)CN1C(=O)C1CCCO1.
What is the InChIKey of N-[5-methyl-1-(oxolane-2-carbonyl)pyrrolidin-3-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The InChIKey is KMOGJIUIUCDTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-11-8-12(10-22(11)16(25)13-4-2-7-26-13)19-15(24)9-14-20-17-18-5-3-6-23(17)21-14/h3,5-6,11-13H,2,4,7-10H2,1H3,(H,19,24).
What are the key properties of N-[5-methyl-1-(oxolane-2-carbonyl)pyrrolidin-3-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
N-[5-methyl-1-(oxolane-2-carbonyl)pyrrolidin-3-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide has a molecular weight of 358.40 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-1-(oxolane-2-carbonyl)pyrrolidin-3-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 167811288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).