2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;6-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene

C21H22N4 — CID 178136001

IUPAC2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;6-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene
SMILESCN1Cc2cccc3[nH]cc(c23)C1.c1cc2c3c(c[nH]c3c1)CNC2
InChIInChI=1S/C11H12N2.C10H10N2/c1-13-6-8-3-2-4-10-11(8)9(7-13)5-12-10;1-2-7-4-11-5-8-6-12-9(3-1)10(7)8/h2-5,12H,6-7H2,1H3;1-3,6,11-12H,4-5H2
InChIKeyWOWRWNAYGRRCMY-UHFFFAOYSA-N
MW330.44 g/mol
LogP3.88
Rot. Bonds

About 2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;6-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene

2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;6-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene (PubChem CID 178136001) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;6-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene.

Molecular Properties

Compound Name2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;6-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene
PubChem CID178136001
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;6-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene
SMILESCN1Cc2cccc3[nH]cc(c23)C1.c1cc2c3c(c[nH]c3c1)CNC2
InChIInChI=1S/C11H12N2.C10H10N2/c1-13-6-8-3-2-4-10-11(8)9(7-13)5-12-10;1-2-7-4-11-5-8-6-12-9(3-1)10(7)8/h2-5,12H,6-7H2,1H3;1-3,6,11-12H,4-5H2
InChIKeyWOWRWNAYGRRCMY-UHFFFAOYSA-N
XLogP3.88
TPSA46.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;6-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene with MolForge

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Related Compounds

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2-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;hydrochloride
CID 3041084
12-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxylic acid
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(6S)-3,5-dimethyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene
CID 138970687
N-(4-formyl-3,5-dihydro-1H-benzo[cd]indol-4-yl)acetamide
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3,4-dimethyl-1H-indole;ethane
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10-[(1-methylpiperidin-4-yl)methyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
CID 67573264
2,3-dihydro-1H-isoindole;ethane;tetrakis(1H-indole)
CID 159287838
4-methyl-3-propan-2-yl-1H-indole
CID 123915873
3-methyl-3,6,21,22,23-pentazapentacyclo[17.2.1.15,8.07,12.015,20]tricosa-1(21),5,7(12),8,10,15(20),16,18-octaene
CID 58884491

Frequently Asked Questions

What is the IUPAC name of 2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;6-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene?
The IUPAC name of 2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;6-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene (CID 178136001) is 2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;6-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene.
What is the SMILES notation for 2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;6-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene?
The canonical SMILES for 2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;6-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene is CN1Cc2cccc3[nH]cc(c23)C1.c1cc2c3c(c[nH]c3c1)CNC2.
What is the InChIKey of 2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;6-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene?
The InChIKey is WOWRWNAYGRRCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.C10H10N2/c1-13-6-8-3-2-4-10-11(8)9(7-13)5-12-10;1-2-7-4-11-5-8-6-12-9(3-1)10(7)8/h2-5,12H,6-7H2,1H3;1-3,6,11-12H,4-5H2.
What are the key properties of 2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;6-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene?
2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;6-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene has a molecular weight of 330.44 g/mol, XLogP of 3.88, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;6-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene is sourced from PubChem (CID 178136001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).