2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]cyclopentan-1-one

C16H26N4O — CID 79535788

IUPAC2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]cyclopentan-1-one
SMILESCC(C)Cn1ncnc1CN1CCCC1C1CCCC1=O
InChIInChI=1S/C16H26N4O/c1-12(2)9-20-16(17-11-18-20)10-19-8-4-6-14(19)13-5-3-7-15(13)21/h11-14H,3-10H2,1-2H3
InChIKeyQQDHWSUFDCFOEX-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.27
Rot. Bonds5

About 2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]cyclopentan-1-one

2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]cyclopentan-1-one (PubChem CID 79535788) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]cyclopentan-1-one
PubChem CID79535788
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]cyclopentan-1-one
SMILESCC(C)Cn1ncnc1CN1CCCC1C1CCCC1=O
InChIInChI=1S/C16H26N4O/c1-12(2)9-20-16(17-11-18-20)10-19-8-4-6-14(19)13-5-3-7-15(13)21/h11-14H,3-10H2,1-2H3
InChIKeyQQDHWSUFDCFOEX-UHFFFAOYSA-N
XLogP2.27
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]cyclopentan-1-one (CID 79535788) is 2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]cyclopentan-1-one is CC(C)Cn1ncnc1CN1CCCC1C1CCCC1=O.
What is the InChIKey of 2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]cyclopentan-1-one?
The InChIKey is QQDHWSUFDCFOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12(2)9-20-16(17-11-18-20)10-19-8-4-6-14(19)13-5-3-7-15(13)21/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]cyclopentan-1-one?
2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]cyclopentan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 79535788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).