7,12-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-amine

C10H11N3 — CID 82411628

IUPAC7,12-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-amine
SMILESNC1CCc2c1[nH]c1cccnc21
InChIInChI=1S/C10H11N3/c11-7-4-3-6-9(7)13-8-2-1-5-12-10(6)8/h1-2,5,7,13H,3-4,11H2
InChIKeyVKLRJGIVBKXUCQ-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.51
Rot. Bonds

About 7,12-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-amine

7,12-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-amine (PubChem CID 82411628) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 7,12-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-amine.

Molecular Properties

Compound Name7,12-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-amine
PubChem CID82411628
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name7,12-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-amine
SMILESNC1CCc2c1[nH]c1cccnc21
InChIInChI=1S/C10H11N3/c11-7-4-3-6-9(7)13-8-2-1-5-12-10(6)8/h1-2,5,7,13H,3-4,11H2
InChIKeyVKLRJGIVBKXUCQ-UHFFFAOYSA-N
XLogP1.51
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indol-8-amine
CID 91536918
12-methyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
CID 68761682
(7R)-8,9-dihydro-7H-cyclopenta[f]quinolin-7-amine
CID 55293433
8,9-dihydro-7H-cyclopenta[f]quinolin-7-amine
CID 55292290
5H-pyrido[3,2-c][1,5]naphthyridin-6-one
CID 11194941
6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 597879
6-iodo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 71738002
9-methyl-6,7-dihydro-5H-pyrido[3,2-b]indole
CID 143904259
N-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-amine;hydrochloride
CID 71637244
7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one
CID 130314087
(8S)-5,6,7,8-tetrahydroquinolin-8-amine
CID 12031071
CID 59368109
CID 59368109

Frequently Asked Questions

What is the IUPAC name of 7,12-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-amine?
The IUPAC name of 7,12-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-amine (CID 82411628) is 7,12-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-amine.
What is the SMILES notation for 7,12-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-amine?
The canonical SMILES for 7,12-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-amine is NC1CCc2c1[nH]c1cccnc21.
What is the InChIKey of 7,12-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-amine?
The InChIKey is VKLRJGIVBKXUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c11-7-4-3-6-9(7)13-8-2-1-5-12-10(6)8/h1-2,5,7,13H,3-4,11H2.
What are the key properties of 7,12-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-amine?
7,12-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-amine has a molecular weight of 173.22 g/mol, XLogP of 1.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,12-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-amine is sourced from PubChem (CID 82411628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).