N-methyl-3,6,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene-8-carboxamide

C10H10N6O — CID 171986190

IUPACN-methyl-3,6,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene-8-carboxamide
SMILESCNC(=O)N1Cn2ccnc2-c2cncnc21
InChIInChI=1S/C10H10N6O/c1-11-10(17)16-6-15-3-2-13-8(15)7-4-12-5-14-9(7)16/h2-5H,6H2,1H3,(H,11,17)
InChIKeyPTXRWHKOTVNWKS-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.46
Rot. Bonds

About N-methyl-3,6,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene-8-carboxamide

N-methyl-3,6,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene-8-carboxamide (PubChem CID 171986190) has the molecular formula C10H10N6O and a molecular weight of 230.23 g/mol. Its IUPAC name is N-methyl-3,6,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene-8-carboxamide.

Molecular Properties

Compound NameN-methyl-3,6,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene-8-carboxamide
PubChem CID171986190
Molecular FormulaC10H10N6O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC NameN-methyl-3,6,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene-8-carboxamide
SMILESCNC(=O)N1Cn2ccnc2-c2cncnc21
InChIInChI=1S/C10H10N6O/c1-11-10(17)16-6-15-3-2-13-8(15)7-4-12-5-14-9(7)16/h2-5H,6H2,1H3,(H,11,17)
InChIKeyPTXRWHKOTVNWKS-UHFFFAOYSA-N
XLogP0.46
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3,6,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene-8-carboxamide?
The IUPAC name of N-methyl-3,6,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene-8-carboxamide (CID 171986190) is N-methyl-3,6,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene-8-carboxamide.
What is the SMILES notation for N-methyl-3,6,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene-8-carboxamide?
The canonical SMILES for N-methyl-3,6,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene-8-carboxamide is CNC(=O)N1Cn2ccnc2-c2cncnc21.
What is the InChIKey of N-methyl-3,6,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene-8-carboxamide?
The InChIKey is PTXRWHKOTVNWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O/c1-11-10(17)16-6-15-3-2-13-8(15)7-4-12-5-14-9(7)16/h2-5H,6H2,1H3,(H,11,17).
What are the key properties of N-methyl-3,6,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene-8-carboxamide?
N-methyl-3,6,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene-8-carboxamide has a molecular weight of 230.23 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3,6,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene-8-carboxamide is sourced from PubChem (CID 171986190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).