3-cyclobutyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene

C12H14N4 — CID 141161049

IUPAC3-cyclobutyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene
SMILESc1cc2c3c(cnc2[nH]1)NCN3C1CCC1
InChIInChI=1S/C12H14N4/c1-2-8(3-1)16-7-15-10-6-14-12-9(11(10)16)4-5-13-12/h4-6,8,15H,1-3,7H2,(H,13,14)
InChIKeyCVUXKPXIHSPCFJ-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.30
Rot. Bonds1

About 3-cyclobutyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene

3-cyclobutyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene (PubChem CID 141161049) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-cyclobutyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene.

Molecular Properties

Compound Name3-cyclobutyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene
PubChem CID141161049
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name3-cyclobutyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene
SMILESc1cc2c3c(cnc2[nH]1)NCN3C1CCC1
InChIInChI=1S/C12H14N4/c1-2-8(3-1)16-7-15-10-6-14-12-9(11(10)16)4-5-13-12/h4-6,8,15H,1-3,7H2,(H,13,14)
InChIKeyCVUXKPXIHSPCFJ-UHFFFAOYSA-N
XLogP2.30
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methylamino]acetonitrile
CID 78319926
13-cyclohexyl-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;N-methylsulfanylmethanamine
CID 144680882
4-(8-azabicyclo[3.2.1]octan-8-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 155032652
3-cyclohexyl-4-pyrimidin-2-yl-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 167194477
cis-(1R,3S)-3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexan-1-ol
CID 91665635
ethane;3-(10-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclobutan-1-amine
CID 162754090
13-[4-(aminomethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one
CID 144680913
3-(3-methylcyclohexyl)-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-5-one
CID 59291864
(3R)-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-amine
CID 163913294
[(2R)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-2-yl]methanol
CID 175782254
N-[[4-(11-ethyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]methanesulfinamide
CID 144680934
1-[4-(11-cyclopropyl-10-methylidene-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]-N-methyl-N-methylsulfanylmethanamine
CID 90335889

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene?
The IUPAC name of 3-cyclobutyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene (CID 141161049) is 3-cyclobutyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene.
What is the SMILES notation for 3-cyclobutyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene?
The canonical SMILES for 3-cyclobutyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene is c1cc2c3c(cnc2[nH]1)NCN3C1CCC1.
What is the InChIKey of 3-cyclobutyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene?
The InChIKey is CVUXKPXIHSPCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-2-8(3-1)16-7-15-10-6-14-12-9(11(10)16)4-5-13-12/h4-6,8,15H,1-3,7H2,(H,13,14).
What are the key properties of 3-cyclobutyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene?
3-cyclobutyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene has a molecular weight of 214.27 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene is sourced from PubChem (CID 141161049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).