6-methyl-2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]pyridin-3-ol

C13H13N5O — CID 86797186

IUPAC6-methyl-2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNc2nnc3ccccn23)n1
InChIInChI=1S/C13H13N5O/c1-9-5-6-11(19)10(15-9)8-14-13-17-16-12-4-2-3-7-18(12)13/h2-7,19H,8H2,1H3,(H,14,17)
InChIKeyQOCJZJUNWQDNTR-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.75
Rot. Bonds3

About 6-methyl-2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]pyridin-3-ol

6-methyl-2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]pyridin-3-ol (PubChem CID 86797186) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-methyl-2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]pyridin-3-ol
PubChem CID86797186
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name6-methyl-2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNc2nnc3ccccn23)n1
InChIInChI=1S/C13H13N5O/c1-9-5-6-11(19)10(15-9)8-14-13-17-16-12-4-2-3-7-18(12)13/h2-7,19H,8H2,1H3,(H,14,17)
InChIKeyQOCJZJUNWQDNTR-UHFFFAOYSA-N
XLogP1.75
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]pyridin-3-ol (CID 86797186) is 6-methyl-2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]pyridin-3-ol is Cc1ccc(O)c(CNc2nnc3ccccn23)n1.
What is the InChIKey of 6-methyl-2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]pyridin-3-ol?
The InChIKey is QOCJZJUNWQDNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-9-5-6-11(19)10(15-9)8-14-13-17-16-12-4-2-3-7-18(12)13/h2-7,19H,8H2,1H3,(H,14,17).
What are the key properties of 6-methyl-2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]pyridin-3-ol?
6-methyl-2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]pyridin-3-ol has a molecular weight of 255.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]pyridin-3-ol is sourced from PubChem (CID 86797186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).