methyl N-methyl-N-[4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexyl]carbamate

C17H21N5O2 — CID 58395193

IUPACmethyl N-methyl-N-[4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexyl]carbamate
SMILESCOC(=O)N(C)C1CCC(n2cnc3cnc4[nH]ccc4c32)CC1
InChIInChI=1S/C17H21N5O2/c1-21(17(23)24-2)11-3-5-12(6-4-11)22-10-20-14-9-19-16-13(15(14)22)7-8-18-16/h7-12H,3-6H2,1-2H3,(H,18,19)
InChIKeyBJZMSCPZZCANOI-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.09
Rot. Bonds2

About methyl N-methyl-N-[4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexyl]carbamate

methyl N-methyl-N-[4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexyl]carbamate (PubChem CID 58395193) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is methyl N-methyl-N-[4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexyl]carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-[4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexyl]carbamate
PubChem CID58395193
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Namemethyl N-methyl-N-[4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexyl]carbamate
SMILESCOC(=O)N(C)C1CCC(n2cnc3cnc4[nH]ccc4c32)CC1
InChIInChI=1S/C17H21N5O2/c1-21(17(23)24-2)11-3-5-12(6-4-11)22-10-20-14-9-19-16-13(15(14)22)7-8-18-16/h7-12H,3-6H2,1-2H3,(H,18,19)
InChIKeyBJZMSCPZZCANOI-UHFFFAOYSA-N
XLogP3.09
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl N-methyl-N-[4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-[4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexyl]carbamate?
The IUPAC name of methyl N-methyl-N-[4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexyl]carbamate (CID 58395193) is methyl N-methyl-N-[4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexyl]carbamate.
What is the SMILES notation for methyl N-methyl-N-[4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexyl]carbamate?
The canonical SMILES for methyl N-methyl-N-[4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexyl]carbamate is COC(=O)N(C)C1CCC(n2cnc3cnc4[nH]ccc4c32)CC1.
What is the InChIKey of methyl N-methyl-N-[4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexyl]carbamate?
The InChIKey is BJZMSCPZZCANOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-21(17(23)24-2)11-3-5-12(6-4-11)22-10-20-14-9-19-16-13(15(14)22)7-8-18-16/h7-12H,3-6H2,1-2H3,(H,18,19).
What are the key properties of methyl N-methyl-N-[4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexyl]carbamate?
methyl N-methyl-N-[4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexyl]carbamate has a molecular weight of 327.39 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-[4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexyl]carbamate is sourced from PubChem (CID 58395193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).