(2-pyridin-4-ylpyrrolidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone

C18H17N5O — CID 24631475

IUPAC(2-pyridin-4-ylpyrrolidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone
SMILESO=C(c1ccc(-n2cncn2)cc1)N1CCCC1c1ccncc1
InChIInChI=1S/C18H17N5O/c24-18(15-3-5-16(6-4-15)23-13-20-12-21-23)22-11-1-2-17(22)14-7-9-19-10-8-14/h3-10,12-13,17H,1-2,11H2
InChIKeyHKDAETWGYJVVNT-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.64
Rot. Bonds3

About (2-pyridin-4-ylpyrrolidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone

(2-pyridin-4-ylpyrrolidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone (PubChem CID 24631475) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is (2-pyridin-4-ylpyrrolidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(2-pyridin-4-ylpyrrolidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone
PubChem CID24631475
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name(2-pyridin-4-ylpyrrolidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone
SMILESO=C(c1ccc(-n2cncn2)cc1)N1CCCC1c1ccncc1
InChIInChI=1S/C18H17N5O/c24-18(15-3-5-16(6-4-15)23-13-20-12-21-23)22-11-1-2-17(22)14-7-9-19-10-8-14/h3-10,12-13,17H,1-2,11H2
InChIKeyHKDAETWGYJVVNT-UHFFFAOYSA-N
XLogP2.64
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-pyridin-4-ylpyrrolidin-1-yl)-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 51091752
(2-aminopiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone;dihydrochloride
CID 142638814
(4-ethylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939220
[2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone;hydrochloride
CID 119467085
[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 94571761
2H-benzotriazol-5-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24658259
furan-3-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631497
[1-(4-fluorophenyl)pyrazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 86980678
(1-tert-butylpyrazol-4-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 56815043
pyridin-4-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 110669976
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 46635205
(3-bromophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 46632632

Frequently Asked Questions

What is the IUPAC name of (2-pyridin-4-ylpyrrolidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone?
The IUPAC name of (2-pyridin-4-ylpyrrolidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone (CID 24631475) is (2-pyridin-4-ylpyrrolidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone.
What is the SMILES notation for (2-pyridin-4-ylpyrrolidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone?
The canonical SMILES for (2-pyridin-4-ylpyrrolidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone is O=C(c1ccc(-n2cncn2)cc1)N1CCCC1c1ccncc1.
What is the InChIKey of (2-pyridin-4-ylpyrrolidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone?
The InChIKey is HKDAETWGYJVVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c24-18(15-3-5-16(6-4-15)23-13-20-12-21-23)22-11-1-2-17(22)14-7-9-19-10-8-14/h3-10,12-13,17H,1-2,11H2.
What are the key properties of (2-pyridin-4-ylpyrrolidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone?
(2-pyridin-4-ylpyrrolidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone has a molecular weight of 319.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-4-ylpyrrolidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone is sourced from PubChem (CID 24631475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).