[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone

C14H16N4O2 — CID 56890894

IUPAC[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
SMILESCc1ccccc1C1(O)CCN(C(=O)c2cn[nH]n2)C1
InChIInChI=1S/C14H16N4O2/c1-10-4-2-3-5-11(10)14(20)6-7-18(9-14)13(19)12-8-15-17-16-12/h2-5,8,20H,6-7,9H2,1H3,(H,15,16,17)
InChIKeyRYKOIDJRNANACO-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.85
Rot. Bonds2

About [3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone

[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone (PubChem CID 56890894) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is [3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
PubChem CID56890894
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
SMILESCc1ccccc1C1(O)CCN(C(=O)c2cn[nH]n2)C1
InChIInChI=1S/C14H16N4O2/c1-10-4-2-3-5-11(10)14(20)6-7-18(9-14)13(19)12-8-15-17-16-12/h2-5,8,20H,6-7,9H2,1H3,(H,15,16,17)
InChIKeyRYKOIDJRNANACO-UHFFFAOYSA-N
XLogP0.85
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-[1-(2-methylphenyl)cyclobutyl]methanone
CID 167986110
[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(3R)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 95202402
[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone
CID 56894930
[6-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 135116874
[3-(bromomethyl)-3-methylpyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 131031529
[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-(4-methyl-1-phenylpyrazol-3-yl)methanone
CID 154795009
1-[4-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 72881128
5-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]-2-thiophen-2-yl-1H-pyrimidin-6-one
CID 97130280
1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 91771584
[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 129484688
[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 135108285
(4,4-dimethylazepan-1-yl)-(2H-triazol-4-yl)methanone
CID 79005614

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone?
The IUPAC name of [3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone (CID 56890894) is [3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone.
What is the SMILES notation for [3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone?
The canonical SMILES for [3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone is Cc1ccccc1C1(O)CCN(C(=O)c2cn[nH]n2)C1.
What is the InChIKey of [3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone?
The InChIKey is RYKOIDJRNANACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-10-4-2-3-5-11(10)14(20)6-7-18(9-14)13(19)12-8-15-17-16-12/h2-5,8,20H,6-7,9H2,1H3,(H,15,16,17).
What are the key properties of [3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone?
[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone has a molecular weight of 272.31 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone is sourced from PubChem (CID 56890894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).