1-[3-[2-[(1R,2R)-2-hydroxycyclohexyl]-5-methyl-1,2,4-triazol-3-yl]phenyl]pyrrolidin-2-one

C19H24N4O2 — CID 146039999

IUPAC1-[3-[2-[(1R,2R)-2-hydroxycyclohexyl]-5-methyl-1,2,4-triazol-3-yl]phenyl]pyrrolidin-2-one
SMILESCc1nc(-c2cccc(N3CCCC3=O)c2)n([C@@H]2CCCC[C@H]2O)n1
InChIInChI=1S/C19H24N4O2/c1-13-20-19(23(21-13)16-8-2-3-9-17(16)24)14-6-4-7-15(12-14)22-11-5-10-18(22)25/h4,6-7,12,16-17,24H,2-3,5,8-11H2,1H3/t16-,17-/m1/s1
InChIKeyFPJJARVLGVCBKU-IAGOWNOFSA-N
MW340.43 g/mol
LogP2.86
Rot. Bonds3

About 1-[3-[2-[(1R,2R)-2-hydroxycyclohexyl]-5-methyl-1,2,4-triazol-3-yl]phenyl]pyrrolidin-2-one

1-[3-[2-[(1R,2R)-2-hydroxycyclohexyl]-5-methyl-1,2,4-triazol-3-yl]phenyl]pyrrolidin-2-one (PubChem CID 146039999) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[3-[2-[(1R,2R)-2-hydroxycyclohexyl]-5-methyl-1,2,4-triazol-3-yl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[2-[(1R,2R)-2-hydroxycyclohexyl]-5-methyl-1,2,4-triazol-3-yl]phenyl]pyrrolidin-2-one
PubChem CID146039999
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[3-[2-[(1R,2R)-2-hydroxycyclohexyl]-5-methyl-1,2,4-triazol-3-yl]phenyl]pyrrolidin-2-one
SMILESCc1nc(-c2cccc(N3CCCC3=O)c2)n([C@@H]2CCCC[C@H]2O)n1
InChIInChI=1S/C19H24N4O2/c1-13-20-19(23(21-13)16-8-2-3-9-17(16)24)14-6-4-7-15(12-14)22-11-5-10-18(22)25/h4,6-7,12,16-17,24H,2-3,5,8-11H2,1H3/t16-,17-/m1/s1
InChIKeyFPJJARVLGVCBKU-IAGOWNOFSA-N
XLogP2.86
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[2-[(1R,2R)-2-hydroxycyclohexyl]-5-methyl-1,2,4-triazol-3-yl]phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[3-[2-(2-ethoxyethyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]pyrrolidin-2-one
CID 154569900
trans-(1R,2R)-2-[5-(2-amino-1,3-benzothiazol-5-yl)-3-methyl-1,2,4-triazol-1-yl]cyclohexan-1-ol
CID 146044122
2-[1-(6-methyl-2-pyridinyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide
CID 146039736
1-(3-hydroxyphenyl)pyrrolidin-2-one
CID 736761
1-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]pyrrolidin-2-one
CID 169420701
1-[3-[2-(3-hydroxypropyl)-5-(2-methylbutyl)-1,2,4-triazol-3-yl]phenyl]pyrrolidin-2-one
CID 146046898
N-methyl-2-[1-(2-methylphenyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide
CID 146038056
1-[4-(3-methylphenyl)phenyl]piperidin-2-one
CID 156557854
4-[4-[3-(2-oxopyrrolidin-1-yl)phenyl]phenyl]piperazine-1-carbaldehyde
CID 167101884
1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
CID 9398580
1-[3-(1-hydroxyethenyl)phenyl]pyrrolidin-2-one
CID 70316561
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[(1R,2R)-2-hydroxycyclohexyl]-5-methyl-1,2,4-triazol-3-yl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[2-[(1R,2R)-2-hydroxycyclohexyl]-5-methyl-1,2,4-triazol-3-yl]phenyl]pyrrolidin-2-one (CID 146039999) is 1-[3-[2-[(1R,2R)-2-hydroxycyclohexyl]-5-methyl-1,2,4-triazol-3-yl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[2-[(1R,2R)-2-hydroxycyclohexyl]-5-methyl-1,2,4-triazol-3-yl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[2-[(1R,2R)-2-hydroxycyclohexyl]-5-methyl-1,2,4-triazol-3-yl]phenyl]pyrrolidin-2-one is Cc1nc(-c2cccc(N3CCCC3=O)c2)n([C@@H]2CCCC[C@H]2O)n1.
What is the InChIKey of 1-[3-[2-[(1R,2R)-2-hydroxycyclohexyl]-5-methyl-1,2,4-triazol-3-yl]phenyl]pyrrolidin-2-one?
The InChIKey is FPJJARVLGVCBKU-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-20-19(23(21-13)16-8-2-3-9-17(16)24)14-6-4-7-15(12-14)22-11-5-10-18(22)25/h4,6-7,12,16-17,24H,2-3,5,8-11H2,1H3/t16-,17-/m1/s1.
What are the key properties of 1-[3-[2-[(1R,2R)-2-hydroxycyclohexyl]-5-methyl-1,2,4-triazol-3-yl]phenyl]pyrrolidin-2-one?
1-[3-[2-[(1R,2R)-2-hydroxycyclohexyl]-5-methyl-1,2,4-triazol-3-yl]phenyl]pyrrolidin-2-one has a molecular weight of 340.43 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[(1R,2R)-2-hydroxycyclohexyl]-5-methyl-1,2,4-triazol-3-yl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 146039999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).