[1,2,4]triazolo[4,3-a]pyridin-6-ylcarbamic acid

C7H6N4O2 — CID 66623612

IUPAC[1,2,4]triazolo[4,3-a]pyridin-6-ylcarbamic acid
SMILESO=C(O)Nc1ccc2nncn2c1
InChIInChI=1S/C7H6N4O2/c12-7(13)9-5-1-2-6-10-8-4-11(6)3-5/h1-4,9H,(H,12,13)
InChIKeyRCLLJFIIAYVCGR-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.82
Rot. Bonds1

About [1,2,4]triazolo[4,3-a]pyridin-6-ylcarbamic acid

[1,2,4]triazolo[4,3-a]pyridin-6-ylcarbamic acid (PubChem CID 66623612) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is [1,2,4]triazolo[4,3-a]pyridin-6-ylcarbamic acid.

Molecular Properties

Compound Name[1,2,4]triazolo[4,3-a]pyridin-6-ylcarbamic acid
PubChem CID66623612
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name[1,2,4]triazolo[4,3-a]pyridin-6-ylcarbamic acid
SMILESO=C(O)Nc1ccc2nncn2c1
InChIInChI=1S/C7H6N4O2/c12-7(13)9-5-1-2-6-10-8-4-11(6)3-5/h1-4,9H,(H,12,13)
InChIKeyRCLLJFIIAYVCGR-UHFFFAOYSA-N
XLogP0.82
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1,2,4]triazolo[4,3-a]pyridin-6-ylcarbamic acid?
The IUPAC name of [1,2,4]triazolo[4,3-a]pyridin-6-ylcarbamic acid (CID 66623612) is [1,2,4]triazolo[4,3-a]pyridin-6-ylcarbamic acid.
What is the SMILES notation for [1,2,4]triazolo[4,3-a]pyridin-6-ylcarbamic acid?
The canonical SMILES for [1,2,4]triazolo[4,3-a]pyridin-6-ylcarbamic acid is O=C(O)Nc1ccc2nncn2c1.
What is the InChIKey of [1,2,4]triazolo[4,3-a]pyridin-6-ylcarbamic acid?
The InChIKey is RCLLJFIIAYVCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c12-7(13)9-5-1-2-6-10-8-4-11(6)3-5/h1-4,9H,(H,12,13).
What are the key properties of [1,2,4]triazolo[4,3-a]pyridin-6-ylcarbamic acid?
[1,2,4]triazolo[4,3-a]pyridin-6-ylcarbamic acid has a molecular weight of 178.15 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,4]triazolo[4,3-a]pyridin-6-ylcarbamic acid is sourced from PubChem (CID 66623612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).