pyridin-4-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone

C12H13N5O — CID 121150784

IUPACpyridin-4-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccncc1)N1CCC(n2ccnn2)C1
InChIInChI=1S/C12H13N5O/c18-12(10-1-4-13-5-2-10)16-7-3-11(9-16)17-8-6-14-15-17/h1-2,4-6,8,11H,3,7,9H2
InChIKeyJVLXUALPLUMHGU-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.76
Rot. Bonds2

About pyridin-4-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone

pyridin-4-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone (PubChem CID 121150784) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is pyridin-4-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-4-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
PubChem CID121150784
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Namepyridin-4-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccncc1)N1CCC(n2ccnn2)C1
InChIInChI=1S/C12H13N5O/c18-12(10-1-4-13-5-2-10)16-7-3-11(9-16)17-8-6-14-15-17/h1-2,4-6,8,11H,3,7,9H2
InChIKeyJVLXUALPLUMHGU-UHFFFAOYSA-N
XLogP0.76
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-methylphenyl)phenyl]-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877322
(3-bromophenyl)-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877388
(4-thiophen-3-ylphenyl)-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877323
[4-(1,3-thiazol-2-yloxy)phenyl]-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150998
[4-(4-methylphenyl)phenyl]-[4-(triazol-1-yl)piperidin-1-yl]methanone
CID 121151194
(5-bromofuran-2-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150950
3H-benzimidazol-5-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150916
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595
(3R)-3-(triazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 99877427
1-benzothiophen-2-yl-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877415
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 80553795
(5-chloro-2-methoxyphenyl)-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877296

Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of pyridin-4-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone (CID 121150784) is pyridin-4-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for pyridin-4-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for pyridin-4-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone is O=C(c1ccncc1)N1CCC(n2ccnn2)C1.
What is the InChIKey of pyridin-4-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone?
The InChIKey is JVLXUALPLUMHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c18-12(10-1-4-13-5-2-10)16-7-3-11(9-16)17-8-6-14-15-17/h1-2,4-6,8,11H,3,7,9H2.
What are the key properties of pyridin-4-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone?
pyridin-4-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone has a molecular weight of 243.27 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 121150784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).