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

C8H13N3O — CID 118564099

IUPAC(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanol
SMILESCC1CCc2nnc(CO)n2C1
InChIInChI=1S/C8H13N3O/c1-6-2-3-7-9-10-8(5-12)11(7)4-6/h6,12H,2-5H2,1H3
InChIKeyPRKPLZPTPNIESK-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.35
Rot. Bonds1

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

(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanol (PubChem CID 118564099) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is (6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanol.

Molecular Properties

Compound Name(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanol
PubChem CID118564099
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanol
SMILESCC1CCc2nnc(CO)n2C1
InChIInChI=1S/C8H13N3O/c1-6-2-3-7-9-10-8(5-12)11(7)4-6/h6,12H,2-5H2,1H3
InChIKeyPRKPLZPTPNIESK-UHFFFAOYSA-N
XLogP0.35
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanol?
The IUPAC name of (6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanol (CID 118564099) is (6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanol.
What is the SMILES notation for (6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanol?
The canonical SMILES for (6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanol is CC1CCc2nnc(CO)n2C1.
What is the InChIKey of (6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanol?
The InChIKey is PRKPLZPTPNIESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-2-3-7-9-10-8(5-12)11(7)4-6/h6,12H,2-5H2,1H3.
What are the key properties of (6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanol?
(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanol has a molecular weight of 167.21 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanol is sourced from PubChem (CID 118564099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).