1-cyclopentyl-4-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]methyl]pyrrolidin-2-one

C15H25N5O — CID 91839192

IUPAC1-cyclopentyl-4-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]methyl]pyrrolidin-2-one
SMILESCc1nc(CN(C)CC2CC(=O)N(C3CCCC3)C2)n[nH]1
InChIInChI=1S/C15H25N5O/c1-11-16-14(18-17-11)10-19(2)8-12-7-15(21)20(9-12)13-5-3-4-6-13/h12-13H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyHTHCTSOHNRBGHB-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.34
Rot. Bonds5

About 1-cyclopentyl-4-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]methyl]pyrrolidin-2-one

1-cyclopentyl-4-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]methyl]pyrrolidin-2-one (PubChem CID 91839192) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-cyclopentyl-4-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]methyl]pyrrolidin-2-one
PubChem CID91839192
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name1-cyclopentyl-4-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]methyl]pyrrolidin-2-one
SMILESCc1nc(CN(C)CC2CC(=O)N(C3CCCC3)C2)n[nH]1
InChIInChI=1S/C15H25N5O/c1-11-16-14(18-17-11)10-19(2)8-12-7-15(21)20(9-12)13-5-3-4-6-13/h12-13H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyHTHCTSOHNRBGHB-UHFFFAOYSA-N
XLogP1.34
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopentyl-4-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

(4R)-1-cyclopentyl-4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]pyrrolidin-2-one
CID 95121113
(4S)-1-cyclopentyl-4-[[(4,6-dimethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one
CID 95122565
1-cyclopentyl-4-[[methyl-(4,5,6-trimethylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one
CID 163314892
1-cyclopentyl-4-[[methyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]methyl]pyrrolidin-2-one
CID 74233085
(4S)-4-[[(3-cyclohexylimidazol-4-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
CID 124849465
1-cyclopentyl-4-[[methyl-[(E)-2-methylbut-2-enyl]amino]methyl]pyrrolidin-2-one
CID 50985024
3-[[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-1H-quinolin-2-one
CID 131927078
4-[[(6-chloro-1,3-benzodioxol-5-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
CID 50968396
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N,2,6-trimethylpyrimidine-4-carboxamide
CID 50960371
4-[[(6-aminopyrazin-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
CID 146039012
(4R)-4-[[(4-chloro-1-methylindazol-3-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
CID 99927619
4-[[(5-amino-1,3,4-thiadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
CID 154564572

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclopentyl-4-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]methyl]pyrrolidin-2-one (CID 91839192) is 1-cyclopentyl-4-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopentyl-4-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]methyl]pyrrolidin-2-one is Cc1nc(CN(C)CC2CC(=O)N(C3CCCC3)C2)n[nH]1.
What is the InChIKey of 1-cyclopentyl-4-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]methyl]pyrrolidin-2-one?
The InChIKey is HTHCTSOHNRBGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-11-16-14(18-17-11)10-19(2)8-12-7-15(21)20(9-12)13-5-3-4-6-13/h12-13H,3-10H2,1-2H3,(H,16,17,18).
What are the key properties of 1-cyclopentyl-4-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]methyl]pyrrolidin-2-one?
1-cyclopentyl-4-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]methyl]pyrrolidin-2-one has a molecular weight of 291.40 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 91839192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).