[1-methyl-5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazol-3-yl]methanol

C16H22N4O — CID 155497871

IUPAC[1-methyl-5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazol-3-yl]methanol
SMILESCC(c1cccc(-c2nc(CO)nn2C)c1)N1CCCC1
InChIInChI=1S/C16H22N4O/c1-12(20-8-3-4-9-20)13-6-5-7-14(10-13)16-17-15(11-21)18-19(16)2/h5-7,10,12,21H,3-4,8-9,11H2,1-2H3
InChIKeyOIBBCVWPRIKNFT-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.13
Rot. Bonds4

About [1-methyl-5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazol-3-yl]methanol

[1-methyl-5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazol-3-yl]methanol (PubChem CID 155497871) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [1-methyl-5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[1-methyl-5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazol-3-yl]methanol
PubChem CID155497871
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[1-methyl-5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazol-3-yl]methanol
SMILESCC(c1cccc(-c2nc(CO)nn2C)c1)N1CCCC1
InChIInChI=1S/C16H22N4O/c1-12(20-8-3-4-9-20)13-6-5-7-14(10-13)16-17-15(11-21)18-19(16)2/h5-7,10,12,21H,3-4,8-9,11H2,1-2H3
InChIKeyOIBBCVWPRIKNFT-UHFFFAOYSA-N
XLogP2.13
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-1-methyl-3-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazole
CID 121497591
5-ethyl-1-methyl-3-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazole;formic acid
CID 172896626
2-methyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 121495759
2-methyl-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 126425290
4,6-dimethoxy-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine
CID 125442859
1,3,6-trimethyl-5-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine-2,4-dione
CID 95120369
2,8-dimethyl-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 126451324
3-(1-pyrrolidin-1-ylethyl)phenol
CID 13017918
3-methyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine
CID 50959459
2-methyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-imidazole
CID 95124127
3-(1-methylimidazol-2-yl)-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridazine
CID 126441558
4,6-dimethyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridine-3-carboxamide
CID 95125725

Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [1-methyl-5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazol-3-yl]methanol (CID 155497871) is [1-methyl-5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [1-methyl-5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [1-methyl-5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazol-3-yl]methanol is CC(c1cccc(-c2nc(CO)nn2C)c1)N1CCCC1.
What is the InChIKey of [1-methyl-5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is OIBBCVWPRIKNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12(20-8-3-4-9-20)13-6-5-7-14(10-13)16-17-15(11-21)18-19(16)2/h5-7,10,12,21H,3-4,8-9,11H2,1-2H3.
What are the key properties of [1-methyl-5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazol-3-yl]methanol?
[1-methyl-5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 286.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 155497871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).