(7R)-3-methyl-4,5,6,7-tetrahydrotriazolo[4,5-b]pyridine-7-carboxylic acid

C7H10N4O2 — CID 136718617

IUPAC(7R)-3-methyl-4,5,6,7-tetrahydrotriazolo[4,5-b]pyridine-7-carboxylic acid
SMILESCn1nnc2c1NCC[C@H]2C(=O)O
InChIInChI=1S/C7H10N4O2/c1-11-6-5(9-10-11)4(7(12)13)2-3-8-6/h4,8H,2-3H2,1H3,(H,12,13)/t4-/m1/s1
InChIKeyJFQNURHEPZHBEY-SCSAIBSYSA-N
MW182.18 g/mol
LogP-0.20
Rot. Bonds1

About (7R)-3-methyl-4,5,6,7-tetrahydrotriazolo[4,5-b]pyridine-7-carboxylic acid

(7R)-3-methyl-4,5,6,7-tetrahydrotriazolo[4,5-b]pyridine-7-carboxylic acid (PubChem CID 136718617) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is (7R)-3-methyl-4,5,6,7-tetrahydrotriazolo[4,5-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name(7R)-3-methyl-4,5,6,7-tetrahydrotriazolo[4,5-b]pyridine-7-carboxylic acid
PubChem CID136718617
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name(7R)-3-methyl-4,5,6,7-tetrahydrotriazolo[4,5-b]pyridine-7-carboxylic acid
SMILESCn1nnc2c1NCC[C@H]2C(=O)O
InChIInChI=1S/C7H10N4O2/c1-11-6-5(9-10-11)4(7(12)13)2-3-8-6/h4,8H,2-3H2,1H3,(H,12,13)/t4-/m1/s1
InChIKeyJFQNURHEPZHBEY-SCSAIBSYSA-N
XLogP-0.20
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-3-methyl-4,5,6,7-tetrahydrotriazolo[4,5-b]pyridine-7-carboxylic acid?
The IUPAC name of (7R)-3-methyl-4,5,6,7-tetrahydrotriazolo[4,5-b]pyridine-7-carboxylic acid (CID 136718617) is (7R)-3-methyl-4,5,6,7-tetrahydrotriazolo[4,5-b]pyridine-7-carboxylic acid.
What is the SMILES notation for (7R)-3-methyl-4,5,6,7-tetrahydrotriazolo[4,5-b]pyridine-7-carboxylic acid?
The canonical SMILES for (7R)-3-methyl-4,5,6,7-tetrahydrotriazolo[4,5-b]pyridine-7-carboxylic acid is Cn1nnc2c1NCC[C@H]2C(=O)O.
What is the InChIKey of (7R)-3-methyl-4,5,6,7-tetrahydrotriazolo[4,5-b]pyridine-7-carboxylic acid?
The InChIKey is JFQNURHEPZHBEY-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-11-6-5(9-10-11)4(7(12)13)2-3-8-6/h4,8H,2-3H2,1H3,(H,12,13)/t4-/m1/s1.
What are the key properties of (7R)-3-methyl-4,5,6,7-tetrahydrotriazolo[4,5-b]pyridine-7-carboxylic acid?
(7R)-3-methyl-4,5,6,7-tetrahydrotriazolo[4,5-b]pyridine-7-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of -0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-3-methyl-4,5,6,7-tetrahydrotriazolo[4,5-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 136718617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).