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Propan-2-yl N-[3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-1-bicyclo[1.1.1]pentanyl]carbamate

C17H19N5O2 — CID 156902431

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACpropan-2-yl N-[3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-1-bicyclo[1.1.1]pentanyl]carbamate
SMILESCC(C)OC(=O)NC12CC(n3cnc4cnc5[nH]ccc5c43)(C1)C2
InChIInChI=1S/C17H19N5O2/c1-10(2)24-15(23)21-16-6-17(7-16,8-16)22-9-20-12-5-19-14-11(13(12)22)3-4-18-14/h3-5,9-10H,6-8H2,1-2H3,(H,18,19)(H,21,23)
InChIKeyCNNZHTLWTJBDNH-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.68
Rot. Bonds3

About Propan-2-yl N-[3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-1-bicyclo[1.1.1]pentanyl]carbamate

Propan-2-yl N-[3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-1-bicyclo[1.1.1]pentanyl]carbamate (PubChem CID 156902431) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is propan-2-yl N-[3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-1-bicyclo[1.1.1]pentanyl]carbamate.

Molecular Properties

Compound NamePropan-2-yl N-[3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-1-bicyclo[1.1.1]pentanyl]carbamate
PubChem CID156902431
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Namepropan-2-yl N-[3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-1-bicyclo[1.1.1]pentanyl]carbamate
SMILESCC(C)OC(=O)NC12CC(n3cnc4cnc5[nH]ccc5c43)(C1)C2
InChIInChI=1S/C17H19N5O2/c1-10(2)24-15(23)21-16-6-17(7-16,8-16)22-9-20-12-5-19-14-11(13(12)22)3-4-18-14/h3-5,9-10H,6-8H2,1-2H3,(H,18,19)(H,21,23)
InChIKeyCNNZHTLWTJBDNH-UHFFFAOYSA-N
XLogP2.68
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze Propan-2-yl N-[3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-1-bicyclo[1.1.1]pentanyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of Propan-2-yl N-[3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-1-bicyclo[1.1.1]pentanyl]carbamate?
The IUPAC name of Propan-2-yl N-[3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-1-bicyclo[1.1.1]pentanyl]carbamate (CID 156902431) is propan-2-yl N-[3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-1-bicyclo[1.1.1]pentanyl]carbamate.
What is the SMILES notation for Propan-2-yl N-[3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-1-bicyclo[1.1.1]pentanyl]carbamate?
The canonical SMILES for Propan-2-yl N-[3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-1-bicyclo[1.1.1]pentanyl]carbamate is CC(C)OC(=O)NC12CC(n3cnc4cnc5[nH]ccc5c43)(C1)C2.
What is the InChIKey of Propan-2-yl N-[3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-1-bicyclo[1.1.1]pentanyl]carbamate?
The InChIKey is CNNZHTLWTJBDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-10(2)24-15(23)21-16-6-17(7-16,8-16)22-9-20-12-5-19-14-11(13(12)22)3-4-18-14/h3-5,9-10H,6-8H2,1-2H3,(H,18,19)(H,21,23).
What are the key properties of Propan-2-yl N-[3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-1-bicyclo[1.1.1]pentanyl]carbamate?
Propan-2-yl N-[3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-1-bicyclo[1.1.1]pentanyl]carbamate has a molecular weight of 325.37 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Propan-2-yl N-[3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-1-bicyclo[1.1.1]pentanyl]carbamate is sourced from PubChem (CID 156902431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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