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

C10H17N3O — CID 117149677

IUPAC(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanol
SMILESCC(C)c1nnc2n1C(CO)CCC2
InChIInChI=1S/C10H17N3O/c1-7(2)10-12-11-9-5-3-4-8(6-14)13(9)10/h7-8,14H,3-6H2,1-2H3
InChIKeyVTWVLKFWJTXCCZ-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.27
Rot. Bonds2

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

(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanol (PubChem CID 117149677) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanol.

Molecular Properties

Compound Name(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanol
PubChem CID117149677
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanol
SMILESCC(C)c1nnc2n1C(CO)CCC2
InChIInChI=1S/C10H17N3O/c1-7(2)10-12-11-9-5-3-4-8(6-14)13(9)10/h7-8,14H,3-6H2,1-2H3
InChIKeyVTWVLKFWJTXCCZ-UHFFFAOYSA-N
XLogP1.27
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanol?
The IUPAC name of (3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanol (CID 117149677) is (3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanol.
What is the SMILES notation for (3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanol?
The canonical SMILES for (3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanol is CC(C)c1nnc2n1C(CO)CCC2.
What is the InChIKey of (3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanol?
The InChIKey is VTWVLKFWJTXCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)10-12-11-9-5-3-4-8(6-14)13(9)10/h7-8,14H,3-6H2,1-2H3.
What are the key properties of (3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanol?
(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanol has a molecular weight of 195.27 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanol is sourced from PubChem (CID 117149677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).