[1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidin-3-yl]methanol

C12H16N4O — CID 62370632

IUPAC[1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidin-3-yl]methanol
SMILESCc1cc(N2CCC(CO)C2)n2ncnc2c1
InChIInChI=1S/C12H16N4O/c1-9-4-11-13-8-14-16(11)12(5-9)15-3-2-10(6-15)7-17/h4-5,8,10,17H,2-3,6-7H2,1H3
InChIKeyIIBICRIUNRJESL-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.86
Rot. Bonds2

About [1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidin-3-yl]methanol

[1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidin-3-yl]methanol (PubChem CID 62370632) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is [1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidin-3-yl]methanol
PubChem CID62370632
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name[1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidin-3-yl]methanol
SMILESCc1cc(N2CCC(CO)C2)n2ncnc2c1
InChIInChI=1S/C12H16N4O/c1-9-4-11-13-8-14-16(11)12(5-9)15-3-2-10(6-15)7-17/h4-5,8,10,17H,2-3,6-7H2,1H3
InChIKeyIIBICRIUNRJESL-UHFFFAOYSA-N
XLogP0.86
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidin-3-yl]methanol (CID 62370632) is [1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidin-3-yl]methanol is Cc1cc(N2CCC(CO)C2)n2ncnc2c1.
What is the InChIKey of [1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidin-3-yl]methanol?
The InChIKey is IIBICRIUNRJESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9-4-11-13-8-14-16(11)12(5-9)15-3-2-10(6-15)7-17/h4-5,8,10,17H,2-3,6-7H2,1H3.
What are the key properties of [1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidin-3-yl]methanol?
[1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidin-3-yl]methanol has a molecular weight of 232.29 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 62370632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).