N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-azaspiro[5.6]dodecane-2-carboxamide

C19H31N5O — CID 86769553

About N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-azaspiro[5.6]dodecane-2-carboxamide

N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-azaspiro[5.6]dodecane-2-carboxamide (PubChem CID 86769553) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-azaspiro[5.6]dodecane-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-azaspiro[5.6]dodecane-2-carboxamide
• PubChem CID: 86769553
• Molecular Formula: C19H31N5O
• Molecular Weight: 345.49 g/mol
• Exact Mass: 345.25
• IUPAC Name: N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-azaspiro[5.6]dodecane-2-carboxamide
• SMILES: O=C(NCCc1nnc2n1CCC2)N1CCCC2(CCCCCC2)C1
• InChI: InChI=1S/C19H31N5O/c25-18(20-12-8-17-22-21-16-7-5-14-24(16)17)23-13-6-11-19(15-23)9-3-1-2-4-10-19/h1-15H2,(H,20,25)
• InChIKey: VLTMXKGRURYQFG-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.49
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-azaspiro[5.6]dodecane-2-carboxamide?

The IUPAC name of N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-azaspiro[5.6]dodecane-2-carboxamide (CID 86769553) is N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-azaspiro[5.6]dodecane-2-carboxamide.

What is the SMILES notation for N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-azaspiro[5.6]dodecane-2-carboxamide?

The canonical SMILES for N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-azaspiro[5.6]dodecane-2-carboxamide is O=C(NCCc1nnc2n1CCC2)N1CCCC2(CCCCCC2)C1.

What is the InChIKey of N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-azaspiro[5.6]dodecane-2-carboxamide?

The InChIKey is VLTMXKGRURYQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c25-18(20-12-8-17-22-21-16-7-5-14-24(16)17)23-13-6-11-19(15-23)9-3-1-2-4-10-19/h1-15H2,(H,20,25).

What are the key properties of N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-azaspiro[5.6]dodecane-2-carboxamide?

N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-azaspiro[5.6]dodecane-2-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-azaspiro[5.6]dodecane-2-carboxamide is sourced from PubChem (CID 86769553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).