2-(12-methyl-4,6,11-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,9-tetraen-5-yl)ethanamine

C12H16N4 — CID 96610979

IUPAC2-(12-methyl-4,6,11-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,9-tetraen-5-yl)ethanamine
SMILESCc1[nH]cc2c1-c1cnc(CCN)n1CC2
InChIInChI=1S/C12H16N4/c1-8-12-9(6-14-8)3-5-16-10(12)7-15-11(16)2-4-13/h6-7,14H,2-5,13H2,1H3
InChIKeyICVXMFOLMBMQKK-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.24
Rot. Bonds2

About 2-(12-methyl-4,6,11-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,9-tetraen-5-yl)ethanamine

2-(12-methyl-4,6,11-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,9-tetraen-5-yl)ethanamine (PubChem CID 96610979) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-(12-methyl-4,6,11-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,9-tetraen-5-yl)ethanamine.

Molecular Properties

Compound Name2-(12-methyl-4,6,11-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,9-tetraen-5-yl)ethanamine
PubChem CID96610979
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-(12-methyl-4,6,11-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,9-tetraen-5-yl)ethanamine
SMILESCc1[nH]cc2c1-c1cnc(CCN)n1CC2
InChIInChI=1S/C12H16N4/c1-8-12-9(6-14-8)3-5-16-10(12)7-15-11(16)2-4-13/h6-7,14H,2-5,13H2,1H3
InChIKeyICVXMFOLMBMQKK-UHFFFAOYSA-N
XLogP1.24
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methyl-5-thia-4,9,11-triazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,10-tetraen-10-yl)ethanamine
CID 96596567
2-(5,6-dihydroimidazo[5,1-a][2,6]naphthyridin-3-yl)ethanamine
CID 96612045
2-(2,3-dihydro-1H-imidazo[1,2-c]imidazol-5-yl)ethanamine
CID 96635680
2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanamine
CID 83828068
2-(1-tert-butyl-5-methylimidazol-2-yl)ethanamine
CID 83875902
2-[6-(4-bromo-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]ethanamine
CID 84609944
2-(7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)ethanamine
CID 82409935
2-(5-bromoimidazo[1,5-a]pyridin-3-yl)ethanamine
CID 83843084
2-[1-(4-chlorophenyl)-5-methylimidazol-2-yl]ethanamine
CID 83896915
2-[1-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]ethanamine
CID 83849345
2-(5-cyclopropyl-1-methylpyrazol-4-yl)ethanamine
CID 83826863
2-imidazo[1,5-b]pyridazin-7-ylethanamine
CID 84651411

Frequently Asked Questions

What is the IUPAC name of 2-(12-methyl-4,6,11-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,9-tetraen-5-yl)ethanamine?
The IUPAC name of 2-(12-methyl-4,6,11-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,9-tetraen-5-yl)ethanamine (CID 96610979) is 2-(12-methyl-4,6,11-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,9-tetraen-5-yl)ethanamine.
What is the SMILES notation for 2-(12-methyl-4,6,11-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,9-tetraen-5-yl)ethanamine?
The canonical SMILES for 2-(12-methyl-4,6,11-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,9-tetraen-5-yl)ethanamine is Cc1[nH]cc2c1-c1cnc(CCN)n1CC2.
What is the InChIKey of 2-(12-methyl-4,6,11-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,9-tetraen-5-yl)ethanamine?
The InChIKey is ICVXMFOLMBMQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-8-12-9(6-14-8)3-5-16-10(12)7-15-11(16)2-4-13/h6-7,14H,2-5,13H2,1H3.
What are the key properties of 2-(12-methyl-4,6,11-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,9-tetraen-5-yl)ethanamine?
2-(12-methyl-4,6,11-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,9-tetraen-5-yl)ethanamine has a molecular weight of 216.29 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(12-methyl-4,6,11-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,9-tetraen-5-yl)ethanamine is sourced from PubChem (CID 96610979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).