formic acid;N-[3-(2H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

C12H18N8O3 — CID 155938302

About formic acid;N-[3-(2H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

formic acid;N-[3-(2H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 155938302) has the molecular formula C12H18N8O3 and a molecular weight of 322.33 g/mol. Its IUPAC name is formic acid;N-[3-(2H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: formic acid;N-[3-(2H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
• PubChem CID: 155938302
• Molecular Formula: C12H18N8O3
• Molecular Weight: 322.33 g/mol
• Exact Mass: 322.15
• IUPAC Name: formic acid;N-[3-(2H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
• SMILES: O=C(NCCCc1nn[nH]n1)C1CCc2ncnn2C1.O=CO
• InChI: InChI=1S/C11H16N8O.CH2O2/c20-11(12-5-1-2-9-15-17-18-16-9)8-3-4-10-13-7-14-19(10)6-8;2-1-3/h7-8H,1-6H2,(H,12,20)(H,15,16,17,18);1H,(H,2,3)
• InChIKey: MCXMWZMBDAYQQR-UHFFFAOYSA-N
• XLogP: -1.20
• TPSA: 151.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.33
LogP ≤ 5	-1.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[3-(2H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?

The IUPAC name of formic acid;N-[3-(2H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (CID 155938302) is formic acid;N-[3-(2H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.

What is the SMILES notation for formic acid;N-[3-(2H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?

The canonical SMILES for formic acid;N-[3-(2H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is O=C(NCCCc1nn[nH]n1)C1CCc2ncnn2C1.O=CO.

What is the InChIKey of formic acid;N-[3-(2H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?

The InChIKey is MCXMWZMBDAYQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N8O.CH2O2/c20-11(12-5-1-2-9-15-17-18-16-9)8-3-4-10-13-7-14-19(10)6-8;2-1-3/h7-8H,1-6H2,(H,12,20)(H,15,16,17,18);1H,(H,2,3).

What are the key properties of formic acid;N-[3-(2H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?

formic acid;N-[3-(2H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 322.33 g/mol, XLogP of -1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;N-[3-(2H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 155938302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).