8-methyl-2,3,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene

C10H10N4 — CID 96626301

IUPAC8-methyl-2,3,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene
SMILESCN1Cc2ccnn2-c2cccnc21
InChIInChI=1S/C10H10N4/c1-13-7-8-4-6-12-14(8)9-3-2-5-11-10(9)13/h2-6H,7H2,1H3
InChIKeyIZHZRFZWQUMHMI-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.22
Rot. Bonds

About 8-methyl-2,3,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene

8-methyl-2,3,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene (PubChem CID 96626301) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 8-methyl-2,3,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene.

Molecular Properties

Compound Name8-methyl-2,3,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene
PubChem CID96626301
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name8-methyl-2,3,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene
SMILESCN1Cc2ccnn2-c2cccnc21
InChIInChI=1S/C10H10N4/c1-13-7-8-4-6-12-14(8)9-3-2-5-11-10(9)13/h2-6H,7H2,1H3
InChIKeyIZHZRFZWQUMHMI-UHFFFAOYSA-N
XLogP1.22
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-methyl-2,3,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene with MolForge

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Related Compounds

5,8-dimethyl-2,4,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene
CID 96620214
1-ethyl-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine
CID 127763309
3-methyl-1-pyridin-3-yl-2H-imidazo[4,5-b]pyridine
CID 143141740
4H-pyrazolo[5,1-c][1,4]benzoxazine
CID 70287326
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridin-3-amine
CID 63778740
1,3-dimethyl-2,3-dihydropyrido[2,3-b][1,4]oxazine
CID 150405091
ethane;1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine
CID 143469071
2-(1-methyl-2,3-dihydropyrido[2,3-b]pyrazin-4-yl)acetaldehyde
CID 83847150
3-(difluoromethyl)-2-(5-methylpyrazol-1-yl)pyridine
CID 91163437
3-(3,5-difluorophenyl)-1-methyl-2H-imidazo[4,5-b]pyridine
CID 171052815
methanimine;(1-methyl-2H-pyrido[2,3-b]pyrazin-3-yl)methanol
CID 143618555
4-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazine
CID 50742427

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,3,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene?
The IUPAC name of 8-methyl-2,3,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene (CID 96626301) is 8-methyl-2,3,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene.
What is the SMILES notation for 8-methyl-2,3,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene?
The canonical SMILES for 8-methyl-2,3,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene is CN1Cc2ccnn2-c2cccnc21.
What is the InChIKey of 8-methyl-2,3,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene?
The InChIKey is IZHZRFZWQUMHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c1-13-7-8-4-6-12-14(8)9-3-2-5-11-10(9)13/h2-6H,7H2,1H3.
What are the key properties of 8-methyl-2,3,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene?
8-methyl-2,3,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene has a molecular weight of 186.22 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,3,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene is sourced from PubChem (CID 96626301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).