12-methyl-10,13-diazatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene

C13H12N2 — CID 20710448

IUPAC12-methyl-10,13-diazatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene
SMILESCC12CN1c1cccc3cccc(c13)N2
InChIInChI=1S/C13H12N2/c1-13-8-15(13)11-7-3-5-9-4-2-6-10(14-13)12(9)11/h2-7,14H,8H2,1H3
InChIKeyIHCYYXJPQCAOBV-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.80
Rot. Bonds

About 12-methyl-10,13-diazatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene

12-methyl-10,13-diazatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene (PubChem CID 20710448) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 12-methyl-10,13-diazatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene.

Molecular Properties

Compound Name12-methyl-10,13-diazatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene
PubChem CID20710448
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name12-methyl-10,13-diazatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene
SMILESCC12CN1c1cccc3cccc(c13)N2
InChIInChI=1S/C13H12N2/c1-13-8-15(13)11-7-3-5-9-4-2-6-10(14-13)12(9)11/h2-7,14H,8H2,1H3
InChIKeyIHCYYXJPQCAOBV-UHFFFAOYSA-N
XLogP2.80
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(10S,11S)-10-cyclohexa-2,4-dien-1-yl-11-methyl-2,12-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),4,6,8,13,15,17(21),18-octaene
CID 134286193
(7aR)-7a-(trifluoromethyl)-8,9-dihydro-7H-pyrrolo[1,2-a]perimidin-10-one
CID 86337067
11,11-dimethyl-13-methylidene-10-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene
CID 134385979
N-(2-chlorophenyl)-3-methyl-1H-perimidin-2-imine
CID 135417398
2,2,4-trimethyl-1,3-dihydroquinoxaline;hydrochloride
CID 134691155
4a-methyl-2,3,4,5-tetrahydropyrimido[1,6-a]benzimidazole-1-thione
CID 10331030
2',6'-ditert-butylspiro[1,3-dihydroperimidine-2,4'-cyclohexa-2,5-diene]-1'-one
CID 2868939
N-methyl-1,3-dihydroperimidin-2-imine;hydrochloride
CID 137007043
2-methyl-2-(3-nitrophenyl)-1,3-dihydroperimidine
CID 169490577
3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxamide
CID 140737605
3-naphthalen-1-yl-1,2-dihydrobenzimidazole
CID 68549243
1-(1-benzofuran-7-yl)-2,2-dimethylpiperazine
CID 68945409

Frequently Asked Questions

What is the IUPAC name of 12-methyl-10,13-diazatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene?
The IUPAC name of 12-methyl-10,13-diazatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene (CID 20710448) is 12-methyl-10,13-diazatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene.
What is the SMILES notation for 12-methyl-10,13-diazatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene?
The canonical SMILES for 12-methyl-10,13-diazatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene is CC12CN1c1cccc3cccc(c13)N2.
What is the InChIKey of 12-methyl-10,13-diazatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene?
The InChIKey is IHCYYXJPQCAOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-13-8-15(13)11-7-3-5-9-4-2-6-10(14-13)12(9)11/h2-7,14H,8H2,1H3.
What are the key properties of 12-methyl-10,13-diazatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene?
12-methyl-10,13-diazatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene has a molecular weight of 196.25 g/mol, XLogP of 2.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-10,13-diazatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene is sourced from PubChem (CID 20710448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).