4-propan-2-yl-10-[2-(1,3,5,10-tetrazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraen-4-yl)propyl]-1,3,5,11-tetrazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraene

C20H22N8 — CID 130251173

IUPAC4-propan-2-yl-10-[2-(1,3,5,10-tetrazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraen-4-yl)propyl]-1,3,5,11-tetrazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraene
SMILESCC(C)c1nc2c([nH]1)Cc1cc(CC(C)c3nc4c([nH]3)Cc3cncn3-4)nn1-2
InChIInChI=1S/C20H22N8/c1-10(2)17-22-16-6-13-5-12(26-28(13)20(16)24-17)4-11(3)18-23-15-7-14-8-21-9-27(14)19(15)25-18/h5,8-11H,4,6-7H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyAQNIUONCXGBRTP-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.78
Rot. Bonds4

About 4-propan-2-yl-10-[2-(1,3,5,10-tetrazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraen-4-yl)propyl]-1,3,5,11-tetrazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraene

4-propan-2-yl-10-[2-(1,3,5,10-tetrazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraen-4-yl)propyl]-1,3,5,11-tetrazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraene (PubChem CID 130251173) has the molecular formula C20H22N8 and a molecular weight of 374.45 g/mol. Its IUPAC name is 4-propan-2-yl-10-[2-(1,3,5,10-tetrazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraen-4-yl)propyl]-1,3,5,11-tetrazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraene.

Molecular Properties

Compound Name4-propan-2-yl-10-[2-(1,3,5,10-tetrazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraen-4-yl)propyl]-1,3,5,11-tetrazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraene
PubChem CID130251173
Molecular FormulaC20H22N8
Molecular Weight374.45 g/mol
Exact Mass374.20
IUPAC Name4-propan-2-yl-10-[2-(1,3,5,10-tetrazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraen-4-yl)propyl]-1,3,5,11-tetrazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraene
SMILESCC(C)c1nc2c([nH]1)Cc1cc(CC(C)c3nc4c([nH]3)Cc3cncn3-4)nn1-2
InChIInChI=1S/C20H22N8/c1-10(2)17-22-16-6-13-5-12(26-28(13)20(16)24-17)4-11(3)18-23-15-7-14-8-21-9-27(14)19(15)25-18/h5,8-11H,4,6-7H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyAQNIUONCXGBRTP-UHFFFAOYSA-N
XLogP2.78
TPSA93.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-propan-2-yl-10-[2-(1,3,5,10-tetrazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraen-4-yl)propyl]-1,3,5,11-tetrazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-10-[2-(1,3,5,10-tetrazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraen-4-yl)propyl]-1,3,5,11-tetrazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraene?
The IUPAC name of 4-propan-2-yl-10-[2-(1,3,5,10-tetrazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraen-4-yl)propyl]-1,3,5,11-tetrazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraene (CID 130251173) is 4-propan-2-yl-10-[2-(1,3,5,10-tetrazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraen-4-yl)propyl]-1,3,5,11-tetrazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraene.
What is the SMILES notation for 4-propan-2-yl-10-[2-(1,3,5,10-tetrazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraen-4-yl)propyl]-1,3,5,11-tetrazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraene?
The canonical SMILES for 4-propan-2-yl-10-[2-(1,3,5,10-tetrazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraen-4-yl)propyl]-1,3,5,11-tetrazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraene is CC(C)c1nc2c([nH]1)Cc1cc(CC(C)c3nc4c([nH]3)Cc3cncn3-4)nn1-2.
What is the InChIKey of 4-propan-2-yl-10-[2-(1,3,5,10-tetrazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraen-4-yl)propyl]-1,3,5,11-tetrazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraene?
The InChIKey is AQNIUONCXGBRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8/c1-10(2)17-22-16-6-13-5-12(26-28(13)20(16)24-17)4-11(3)18-23-15-7-14-8-21-9-27(14)19(15)25-18/h5,8-11H,4,6-7H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 4-propan-2-yl-10-[2-(1,3,5,10-tetrazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraen-4-yl)propyl]-1,3,5,11-tetrazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraene?
4-propan-2-yl-10-[2-(1,3,5,10-tetrazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraen-4-yl)propyl]-1,3,5,11-tetrazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraene has a molecular weight of 374.45 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-10-[2-(1,3,5,10-tetrazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraen-4-yl)propyl]-1,3,5,11-tetrazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraene is sourced from PubChem (CID 130251173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).