6-propan-2-yl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene

C12H20N4 — CID 136841580

IUPAC6-propan-2-yl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene
SMILESCC(C)C1CCNc2c3c(nn21)NCCC3
InChIInChI=1S/C12H20N4/c1-8(2)10-5-7-14-12-9-4-3-6-13-11(9)15-16(10)12/h8,10,14H,3-7H2,1-2H3,(H,13,15)
InChIKeyDDDMDSAQAUURSY-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.25
Rot. Bonds1

About 6-propan-2-yl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene

6-propan-2-yl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene (PubChem CID 136841580) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 6-propan-2-yl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene.

Molecular Properties

Compound Name6-propan-2-yl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene
PubChem CID136841580
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name6-propan-2-yl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene
SMILESCC(C)C1CCNc2c3c(nn21)NCCC3
InChIInChI=1S/C12H20N4/c1-8(2)10-5-7-14-12-9-4-3-6-13-11(9)15-16(10)12/h8,10,14H,3-7H2,1-2H3,(H,13,15)
InChIKeyDDDMDSAQAUURSY-UHFFFAOYSA-N
XLogP2.25
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclohexyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene
CID 136841572
6-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene
CID 136841554
6-(3-methylphenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene
CID 136841536
8-fluoro-4-propan-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
CID 137012280
3-bromo-7-propan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841805
7-propan-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 136840385
7-propan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136709329
2-(2-methylcyclopropyl)-7-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838829
2-(3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-5-yl)ethanol
CID 136841520
4-methyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
CID 172583956
7-propan-2-yl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838267
4-(7-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexan-1-amine
CID 136837693

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene?
The IUPAC name of 6-propan-2-yl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene (CID 136841580) is 6-propan-2-yl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene.
What is the SMILES notation for 6-propan-2-yl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene?
The canonical SMILES for 6-propan-2-yl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene is CC(C)C1CCNc2c3c(nn21)NCCC3.
What is the InChIKey of 6-propan-2-yl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene?
The InChIKey is DDDMDSAQAUURSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-8(2)10-5-7-14-12-9-4-3-6-13-11(9)15-16(10)12/h8,10,14H,3-7H2,1-2H3,(H,13,15).
What are the key properties of 6-propan-2-yl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene?
6-propan-2-yl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene has a molecular weight of 220.32 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene is sourced from PubChem (CID 136841580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).