2-amino-1-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol

C9H16N4O — CID 81252760

IUPAC2-amino-1-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
SMILESCC1CCn2c(nnc2C(O)CN)C1
InChIInChI=1S/C9H16N4O/c1-6-2-3-13-8(4-6)11-12-9(13)7(14)5-10/h6-7,14H,2-5,10H2,1H3
InChIKeyIQZUMOUZHYGDTP-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.15
Rot. Bonds2

About 2-amino-1-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol

2-amino-1-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol (PubChem CID 81252760) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-amino-1-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
PubChem CID81252760
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-amino-1-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
SMILESCC1CCn2c(nnc2C(O)CN)C1
InChIInChI=1S/C9H16N4O/c1-6-2-3-13-8(4-6)11-12-9(13)7(14)5-10/h6-7,14H,2-5,10H2,1H3
InChIKeyIQZUMOUZHYGDTP-UHFFFAOYSA-N
XLogP-0.15
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol with MolForge

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Related Compounds

2-methoxy-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 106110929
2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 117151111
1-amino-2-methyl-3-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-ol
CID 81252355
4,4-dimethyl-3-[2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-1-amine
CID 81252549
7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid
CID 83866335
N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]propan-2-amine
CID 81251479
3-cyclohexyl-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117151812
7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117151154
7-methyl-3-[(1-methylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117151442
3-ethyl-2,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 83218126
3-(4-ethylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 81252145
7-methyl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117151494

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol?
The IUPAC name of 2-amino-1-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol (CID 81252760) is 2-amino-1-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol.
What is the SMILES notation for 2-amino-1-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol?
The canonical SMILES for 2-amino-1-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol is CC1CCn2c(nnc2C(O)CN)C1.
What is the InChIKey of 2-amino-1-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol?
The InChIKey is IQZUMOUZHYGDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6-2-3-13-8(4-6)11-12-9(13)7(14)5-10/h6-7,14H,2-5,10H2,1H3.
What are the key properties of 2-amino-1-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol?
2-amino-1-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol has a molecular weight of 196.25 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol is sourced from PubChem (CID 81252760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).