N-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)pyrrolidine-1-carboxamide

C12H13N7O — CID 137037738

IUPACN-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1nnc2cnc3[nH]ccc3n12)N1CCCC1
InChIInChI=1S/C12H13N7O/c20-12(18-5-1-2-6-18)15-11-17-16-9-7-14-10-8(19(9)11)3-4-13-10/h3-4,7,13H,1-2,5-6H2,(H,15,17,20)
InChIKeyBTXKOQAQFQSGDQ-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.23
Rot. Bonds1

About N-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)pyrrolidine-1-carboxamide

N-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)pyrrolidine-1-carboxamide (PubChem CID 137037738) has the molecular formula C12H13N7O and a molecular weight of 271.28 g/mol. Its IUPAC name is N-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)pyrrolidine-1-carboxamide
PubChem CID137037738
Molecular FormulaC12H13N7O
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC NameN-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1nnc2cnc3[nH]ccc3n12)N1CCCC1
InChIInChI=1S/C12H13N7O/c20-12(18-5-1-2-6-18)15-11-17-16-9-7-14-10-8(19(9)11)3-4-13-10/h3-4,7,13H,1-2,5-6H2,(H,15,17,20)
InChIKeyBTXKOQAQFQSGDQ-UHFFFAOYSA-N
XLogP1.23
TPSA91.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)pyrrolidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)pyrrolidine-1-carboxamide (CID 137037738) is N-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)pyrrolidine-1-carboxamide is O=C(Nc1nnc2cnc3[nH]ccc3n12)N1CCCC1.
What is the InChIKey of N-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)pyrrolidine-1-carboxamide?
The InChIKey is BTXKOQAQFQSGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7O/c20-12(18-5-1-2-6-18)15-11-17-16-9-7-14-10-8(19(9)11)3-4-13-10/h3-4,7,13H,1-2,5-6H2,(H,15,17,20).
What are the key properties of N-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)pyrrolidine-1-carboxamide?
N-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)pyrrolidine-1-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 137037738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).