2-methyl-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene

C11H12N2 — CID 13222187

IUPAC2-methyl-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene
SMILESCc1cc2cccc3c2n1CCN3
InChIInChI=1S/C11H12N2/c1-8-7-9-3-2-4-10-11(9)13(8)6-5-12-10/h2-4,7,12H,5-6H2,1H3
InChIKeyXXTXFZWSTYQDCQ-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.38
Rot. Bonds

About 2-methyl-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene

2-methyl-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene (PubChem CID 13222187) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-methyl-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene.

Molecular Properties

Compound Name2-methyl-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene
PubChem CID13222187
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name2-methyl-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene
SMILESCc1cc2cccc3c2n1CCN3
InChIInChI=1S/C11H12N2/c1-8-7-9-3-2-4-10-11(9)13(8)6-5-12-10/h2-4,7,12H,5-6H2,1H3
InChIKeyXXTXFZWSTYQDCQ-UHFFFAOYSA-N
XLogP2.38
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1,3,9-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one
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CID 11205486
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4-ethyl-2,3-dihydro-1H-quinoxaline
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6,10,13,17-tetrazatetracyclo[16.6.2.05,24.022,26]hexacosa-1(25),2,4,18,20,22(26),23-heptaene
CID 11371481
6,10,13,17,30,34,37,41,54,58,61,65-dodecazadecacyclo[64.6.2.222,25.246,49.05,72.018,23.042,47.070,74.029,77.053,75]octaheptaconta-1(73),2,4,18,20,22(78),23,25(77),26,28,42,44,46,48,50,52,66,68,70(74),71,75-henicosaene
CID 11159030
4-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazine
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene?
The IUPAC name of 2-methyl-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene (CID 13222187) is 2-methyl-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene.
What is the SMILES notation for 2-methyl-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene?
The canonical SMILES for 2-methyl-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene is Cc1cc2cccc3c2n1CCN3.
What is the InChIKey of 2-methyl-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene?
The InChIKey is XXTXFZWSTYQDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-8-7-9-3-2-4-10-11(9)13(8)6-5-12-10/h2-4,7,12H,5-6H2,1H3.
What are the key properties of 2-methyl-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene?
2-methyl-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene has a molecular weight of 172.23 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene is sourced from PubChem (CID 13222187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).