[5-methyl-1-(4-methylphenyl)triazol-4-yl]-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone

C21H23N5O — CID 126776787

IUPAC[5-methyl-1-(4-methylphenyl)triazol-4-yl]-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(-n2nnc(C(=O)N3CCCC3c3cccc(C)n3)c2C)cc1
InChIInChI=1S/C21H23N5O/c1-14-9-11-17(12-10-14)26-16(3)20(23-24-26)21(27)25-13-5-8-19(25)18-7-4-6-15(2)22-18/h4,6-7,9-12,19H,5,8,13H2,1-3H3
InChIKeyNULUBGXWTNEFDV-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.56
Rot. Bonds3

About [5-methyl-1-(4-methylphenyl)triazol-4-yl]-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone

[5-methyl-1-(4-methylphenyl)triazol-4-yl]-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone (PubChem CID 126776787) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is [5-methyl-1-(4-methylphenyl)triazol-4-yl]-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-methyl-1-(4-methylphenyl)triazol-4-yl]-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone
PubChem CID126776787
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name[5-methyl-1-(4-methylphenyl)triazol-4-yl]-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(-n2nnc(C(=O)N3CCCC3c3cccc(C)n3)c2C)cc1
InChIInChI=1S/C21H23N5O/c1-14-9-11-17(12-10-14)26-16(3)20(23-24-26)21(27)25-13-5-8-19(25)18-7-4-6-15(2)22-18/h4,6-7,9-12,19H,5,8,13H2,1-3H3
InChIKeyNULUBGXWTNEFDV-UHFFFAOYSA-N
XLogP3.56
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102538999
cyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone
CID 95817448
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-methyl-1-(3-methylphenyl)triazol-4-yl]methanone
CID 55856049
[5-methyl-1-(3-methylphenyl)triazol-4-yl]-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]methanone
CID 55910905
[2-(3-bromophenyl)pyrrolidin-1-yl]-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanone
CID 55889459
[5-methyl-1-(3-nitrophenyl)triazol-4-yl]-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 55890576
[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649270
[3-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone
CID 119491525
(2R,3R)-2-methyl-1-(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)piperidine-3-carboxylic acid
CID 122116374
1H-indazol-3-yl-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 42946266
[6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridinyl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 43070750
[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[5-methyl-1-(3-nitrophenyl)triazol-4-yl]methanone
CID 134038688

Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-(4-methylphenyl)triazol-4-yl]-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-methyl-1-(4-methylphenyl)triazol-4-yl]-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone (CID 126776787) is [5-methyl-1-(4-methylphenyl)triazol-4-yl]-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-methyl-1-(4-methylphenyl)triazol-4-yl]-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-methyl-1-(4-methylphenyl)triazol-4-yl]-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone is Cc1ccc(-n2nnc(C(=O)N3CCCC3c3cccc(C)n3)c2C)cc1.
What is the InChIKey of [5-methyl-1-(4-methylphenyl)triazol-4-yl]-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone?
The InChIKey is NULUBGXWTNEFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-14-9-11-17(12-10-14)26-16(3)20(23-24-26)21(27)25-13-5-8-19(25)18-7-4-6-15(2)22-18/h4,6-7,9-12,19H,5,8,13H2,1-3H3.
What are the key properties of [5-methyl-1-(4-methylphenyl)triazol-4-yl]-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone?
[5-methyl-1-(4-methylphenyl)triazol-4-yl]-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone has a molecular weight of 361.45 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-(4-methylphenyl)triazol-4-yl]-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 126776787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).