N,12-dimethyl-8-(methylamino)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide

C11H12N6OS — CID 25263288

IUPACN,12-dimethyl-8-(methylamino)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide
SMILESCNC(=O)c1nc2c(nc(NC)c3ncn(C)c32)s1
InChIInChI=1S/C11H12N6OS/c1-12-8-5-7(17(3)4-14-5)6-10(16-8)19-11(15-6)9(18)13-2/h4H,1-3H3,(H,12,16)(H,13,18)
InChIKeyBYMRVDVGQVMXFP-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.98
Rot. Bonds2

About N,12-dimethyl-8-(methylamino)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide

N,12-dimethyl-8-(methylamino)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide (PubChem CID 25263288) has the molecular formula C11H12N6OS and a molecular weight of 276.33 g/mol. Its IUPAC name is N,12-dimethyl-8-(methylamino)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide.

Molecular Properties

Compound NameN,12-dimethyl-8-(methylamino)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide
PubChem CID25263288
Molecular FormulaC11H12N6OS
Molecular Weight276.33 g/mol
Exact Mass276.08
IUPAC NameN,12-dimethyl-8-(methylamino)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide
SMILESCNC(=O)c1nc2c(nc(NC)c3ncn(C)c32)s1
InChIInChI=1S/C11H12N6OS/c1-12-8-5-7(17(3)4-14-5)6-10(16-8)19-11(15-6)9(18)13-2/h4H,1-3H3,(H,12,16)(H,13,18)
InChIKeyBYMRVDVGQVMXFP-UHFFFAOYSA-N
XLogP0.98
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N,12-dimethyl-8-(methylamino)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,12-dimethyl-8-(methylamino)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide?
The IUPAC name of N,12-dimethyl-8-(methylamino)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide (CID 25263288) is N,12-dimethyl-8-(methylamino)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide.
What is the SMILES notation for N,12-dimethyl-8-(methylamino)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide?
The canonical SMILES for N,12-dimethyl-8-(methylamino)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide is CNC(=O)c1nc2c(nc(NC)c3ncn(C)c32)s1.
What is the InChIKey of N,12-dimethyl-8-(methylamino)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide?
The InChIKey is BYMRVDVGQVMXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6OS/c1-12-8-5-7(17(3)4-14-5)6-10(16-8)19-11(15-6)9(18)13-2/h4H,1-3H3,(H,12,16)(H,13,18).
What are the key properties of N,12-dimethyl-8-(methylamino)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide?
N,12-dimethyl-8-(methylamino)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide has a molecular weight of 276.33 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,12-dimethyl-8-(methylamino)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide is sourced from PubChem (CID 25263288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).