[4-(4-phenylphenyl)triazol-2-yl]-pyrrolidin-1-ylmethanone

C19H18N4O — CID 56593029

IUPAC[4-(4-phenylphenyl)triazol-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)n1ncc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C19H18N4O/c24-19(22-12-4-5-13-22)23-20-14-18(21-23)17-10-8-16(9-11-17)15-6-2-1-3-7-15/h1-3,6-11,14H,4-5,12-13H2
InChIKeyUKVJRODNCZDEBC-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.68
Rot. Bonds2

About [4-(4-phenylphenyl)triazol-2-yl]-pyrrolidin-1-ylmethanone

[4-(4-phenylphenyl)triazol-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 56593029) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is [4-(4-phenylphenyl)triazol-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(4-phenylphenyl)triazol-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID56593029
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name[4-(4-phenylphenyl)triazol-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)n1ncc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C19H18N4O/c24-19(22-12-4-5-13-22)23-20-14-18(21-23)17-10-8-16(9-11-17)15-6-2-1-3-7-15/h1-3,6-11,14H,4-5,12-13H2
InChIKeyUKVJRODNCZDEBC-UHFFFAOYSA-N
XLogP3.68
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-phenyltriazol-2-yl)-pyrrolidin-1-ylmethanone
CID 56593025
[4-[hydroxy(diphenyl)methyl]triazol-2-yl]-pyrrolidin-1-ylmethanone
CID 56593032
(4-methoxyphenyl)-(4-phenyltriazol-2-yl)methanone
CID 134126257
(3R)-3-benzyl-4-[4-[4-(trifluoromethoxy)phenyl]triazole-2-carbonyl]piperazine-1-carboxylic acid
CID 137351996
azepan-1-yl-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 744096
azepan-1-yl-(6-phenylpyridazin-3-yl)methanone
CID 113200597
2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-phenylpyridazin-3-one
CID 7659647
[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 78799878
(2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone
CID 2229074
2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 7659649
[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-piperidin-1-ylmethanone
CID 811995
1-(azepan-1-yl)-2-[[6-(4-phenylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]ethanone
CID 40982060

Frequently Asked Questions

What is the IUPAC name of [4-(4-phenylphenyl)triazol-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(4-phenylphenyl)triazol-2-yl]-pyrrolidin-1-ylmethanone (CID 56593029) is [4-(4-phenylphenyl)triazol-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(4-phenylphenyl)triazol-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(4-phenylphenyl)triazol-2-yl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)n1ncc(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of [4-(4-phenylphenyl)triazol-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is UKVJRODNCZDEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c24-19(22-12-4-5-13-22)23-20-14-18(21-23)17-10-8-16(9-11-17)15-6-2-1-3-7-15/h1-3,6-11,14H,4-5,12-13H2.
What are the key properties of [4-(4-phenylphenyl)triazol-2-yl]-pyrrolidin-1-ylmethanone?
[4-(4-phenylphenyl)triazol-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 318.38 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-phenylphenyl)triazol-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56593029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).