2-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol

C13H16N4O — CID 82557330

IUPAC2-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol
SMILESCC1Cc2nc(N)nn2CC1c1ccccc1O
InChIInChI=1S/C13H16N4O/c1-8-6-12-15-13(14)16-17(12)7-10(8)9-4-2-3-5-11(9)18/h2-5,8,10,18H,6-7H2,1H3,(H2,14,16)
InChIKeyQBDSMCMHOYEQNB-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.54
Rot. Bonds1

About 2-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol

2-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol (PubChem CID 82557330) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol.

Molecular Properties

Compound Name2-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol
PubChem CID82557330
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol
SMILESCC1Cc2nc(N)nn2CC1c1ccccc1O
InChIInChI=1S/C13H16N4O/c1-8-6-12-15-13(14)16-17(12)7-10(8)9-4-2-3-5-11(9)18/h2-5,8,10,18H,6-7H2,1H3,(H2,14,16)
InChIKeyQBDSMCMHOYEQNB-UHFFFAOYSA-N
XLogP1.54
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol?
The IUPAC name of 2-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol (CID 82557330) is 2-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol.
What is the SMILES notation for 2-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol?
The canonical SMILES for 2-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol is CC1Cc2nc(N)nn2CC1c1ccccc1O.
What is the InChIKey of 2-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol?
The InChIKey is QBDSMCMHOYEQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8-6-12-15-13(14)16-17(12)7-10(8)9-4-2-3-5-11(9)18/h2-5,8,10,18H,6-7H2,1H3,(H2,14,16).
What are the key properties of 2-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol?
2-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol has a molecular weight of 244.30 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol is sourced from PubChem (CID 82557330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).