3-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene

C12H17N3 — CID 175767394

IUPAC3-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene
SMILESCC1NCCc2nn3c(c21)C=CCCC3
InChIInChI=1S/C12H17N3/c1-9-12-10(6-7-13-9)14-15-8-4-2-3-5-11(12)15/h3,5,9,13H,2,4,6-8H2,1H3
InChIKeyBKGIFEOAMNKFAM-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.90
Rot. Bonds

About 3-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene

3-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene (PubChem CID 175767394) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene.

Molecular Properties

Compound Name3-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene
PubChem CID175767394
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name3-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene
SMILESCC1NCCc2nn3c(c21)C=CCCC3
InChIInChI=1S/C12H17N3/c1-9-12-10(6-7-13-9)14-15-8-4-2-3-5-11(12)15/h3,5,9,13H,2,4,6-8H2,1H3
InChIKeyBKGIFEOAMNKFAM-UHFFFAOYSA-N
XLogP1.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 44384532
1h-Pyrazolo[4,3-c]pyridine,4,5,6,7-tetrahydro-1-(1-methylethyl)-3-phenyl-
CID 44383991
3-(3-Fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 44384588
1-methyl-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 44383892
(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)methanamine
CID 7131118
3-(4-Fluorophenyl)-1-hexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 44384101
3-(4-Fluorophenyl)-1-pentyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 44384222
1h-Pyrazolo[4,3-c]pyridine,1-ethyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-
CID 44384531
3-(2-Fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 44384806
1h-Pyrazolo[4,3-c]pyridine,1-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-
CID 44385043
1h-Pyrazolo[4,3-c]pyridine,3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-propyl-
CID 44385298
1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridine
CID 45096966

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene?
The IUPAC name of 3-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene (CID 175767394) is 3-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene.
What is the SMILES notation for 3-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene?
The canonical SMILES for 3-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene is CC1NCCc2nn3c(c21)C=CCCC3.
What is the InChIKey of 3-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene?
The InChIKey is BKGIFEOAMNKFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-9-12-10(6-7-13-9)14-15-8-4-2-3-5-11(12)15/h3,5,9,13H,2,4,6-8H2,1H3.
What are the key properties of 3-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene?
3-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene has a molecular weight of 203.29 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene is sourced from PubChem (CID 175767394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).