4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraene

C10H12N4 — CID 146174440

IUPAC4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraene
SMILESCC1=CC2C(C=Cc3nnc(C)n32)N1
InChIInChI=1S/C10H12N4/c1-6-5-9-8(11-6)3-4-10-13-12-7(2)14(9)10/h3-5,8-9,11H,1-2H3
InChIKeyLYOKGPLOBNAVPX-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.03
Rot. Bonds

About 4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraene

4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraene (PubChem CID 146174440) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraene.

Molecular Properties

Compound Name4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraene
PubChem CID146174440
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraene
SMILESCC1=CC2C(C=Cc3nnc(C)n32)N1
InChIInChI=1S/C10H12N4/c1-6-5-9-8(11-6)3-4-10-13-12-7(2)14(9)10/h3-5,8-9,11H,1-2H3
InChIKeyLYOKGPLOBNAVPX-UHFFFAOYSA-N
XLogP1.03
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraene with MolForge

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Related Compounds

2-(4-Propan-2-yl-1,2,4-triazol-3-yl)-2,3-dihydropyridin-6-amine
CID 89722799
3-[(E)-but-1-enyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 134513880
3,4-dimethyl-5-[(E,1Z)-1-(2-methyl-1,2-dihydropyrrol-3-ylidene)but-2-en-2-yl]-1,2,4-triazole
CID 142140854
(8R)-8-methyl-3-(2-methyl-3H-pyrrol-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 145556929
ethane;(E)-1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylbut-1-en-2-amine
CID 162735800
ethane;(E)-1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylbut-1-en-2-amine
CID 162736478
(E)-1-(4,5-dimethyl-1,2,4-triazol-3-yl)but-1-en-2-amine
CID 163219376
2-(12-Methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraen-4-yl)ethanol
CID 166710369
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]cyclohex-3-en-1-amine
CID 65700077
1-Cyclopent-3-en-1-yl-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylguanidine
CID 109769299
1-Cyclopent-3-en-1-yl-3-ethyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 109770047
1-Cyclopent-3-en-1-yl-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-ethylguanidine;hydroiodide
CID 109771904

Frequently Asked Questions

What is the IUPAC name of 4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraene?
The IUPAC name of 4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraene (CID 146174440) is 4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraene.
What is the SMILES notation for 4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraene?
The canonical SMILES for 4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraene is CC1=CC2C(C=Cc3nnc(C)n32)N1.
What is the InChIKey of 4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraene?
The InChIKey is LYOKGPLOBNAVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-6-5-9-8(11-6)3-4-10-13-12-7(2)14(9)10/h3-5,8-9,11H,1-2H3.
What are the key properties of 4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraene?
4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraene has a molecular weight of 188.23 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraene is sourced from PubChem (CID 146174440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).