1,2,3,5-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C7H10N4O — CID 66623828

IUPAC1,2,3,5-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESNC(=O)C1=CC=C2NNCN2C1
InChIInChI=1S/C7H10N4O/c8-7(12)5-1-2-6-10-9-4-11(6)3-5/h1-2,9-10H,3-4H2,(H2,8,12)
InChIKeyXPVBXLWFEBBHJH-UHFFFAOYSA-N
MW166.18 g/mol
LogP-1.38
Rot. Bonds1

About 1,2,3,5-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

1,2,3,5-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 66623828) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 1,2,3,5-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name1,2,3,5-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID66623828
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name1,2,3,5-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESNC(=O)C1=CC=C2NNCN2C1
InChIInChI=1S/C7H10N4O/c8-7(12)5-1-2-6-10-9-4-11(6)3-5/h1-2,9-10H,3-4H2,(H2,8,12)
InChIKeyXPVBXLWFEBBHJH-UHFFFAOYSA-N
XLogP-1.38
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 1,2,3,5-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 66623828) is 1,2,3,5-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 1,2,3,5-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 1,2,3,5-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is NC(=O)C1=CC=C2NNCN2C1.
What is the InChIKey of 1,2,3,5-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is XPVBXLWFEBBHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c8-7(12)5-1-2-6-10-9-4-11(6)3-5/h1-2,9-10H,3-4H2,(H2,8,12).
What are the key properties of 1,2,3,5-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
1,2,3,5-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 166.18 g/mol, XLogP of -1.38, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 66623828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).