ethane;6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene

C18H27N3 — CID 145322438

IUPACethane;6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene
SMILESC1=NC2=c3cccnc3=CC3CC23N=C1.CC.CC.CC
InChIInChI=1S/C12H9N3.3C2H6/c1-2-9-10(13-3-1)6-8-7-12(8)11(9)14-4-5-15-12;3*1-2/h1-6,8H,7H2;3*1-2H3
InChIKeyDJKCBRCRWIRRCS-UHFFFAOYSA-N
MW285.44 g/mol
LogP2.98
Rot. Bonds

About ethane;6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene

ethane;6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene (PubChem CID 145322438) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is ethane;6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene.

Molecular Properties

Compound Nameethane;6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene
PubChem CID145322438
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Nameethane;6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene
SMILESC1=NC2=c3cccnc3=CC3CC23N=C1.CC.CC.CC
InChIInChI=1S/C12H9N3.3C2H6/c1-2-9-10(13-3-1)6-8-7-12(8)11(9)14-4-5-15-12;3*1-2/h1-6,8H,7H2;3*1-2H3
InChIKeyDJKCBRCRWIRRCS-UHFFFAOYSA-N
XLogP2.98
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene with MolForge

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Related Compounds

N-[7-methyl-6-[(1E)-1-[(2Z)-2-prop-2-enylidenecyclohex-3-en-1-ylidene]ethyl]-4a,8a-dihydroquinolin-8-yl]ethanimine
CID 135199007
6-methyl-6,6a-dihydro-5aH-cyclopropa[g]quinoline
CID 143049051
Ethane;3-methyl-7a,8-dihydrocyclopropa[e]quinoxaline
CID 143408640
6,6a-dihydro-5aH-cyclopropa[g]quinoline;ethane
CID 144216551
3-(3-Bicyclo[4.1.0]hepta-2,4-dienyl)-7-methyl-6,7-dihydroquinoline;ethane
CID 144430618
6,6a-dihydro-5aH-cyclopropa[g]quinoline;ethane
CID 144851891
ethane;4-methyl-6,6a-dihydro-5aH-cyclopropa[g]quinoline
CID 155731561
3-Methyl-7a,8-dihydrocyclopropa[e]quinoxaline
CID 143408641
6,6a-dihydro-5aH-cyclopropa[g]quinoline
CID 144216552
3-(3-Bicyclo[4.1.0]hepta-2,4-dienyl)-7-methyl-6,7-dihydroquinoline
CID 144430619
6,12,15-Triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene
CID 145322439
4-methyl-6,6a-dihydro-5aH-cyclopropa[g]quinoline
CID 155731562

Frequently Asked Questions

What is the IUPAC name of ethane;6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene?
The IUPAC name of ethane;6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene (CID 145322438) is ethane;6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene.
What is the SMILES notation for ethane;6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene?
The canonical SMILES for ethane;6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene is C1=NC2=c3cccnc3=CC3CC23N=C1.CC.CC.CC.
What is the InChIKey of ethane;6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene?
The InChIKey is DJKCBRCRWIRRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3.3C2H6/c1-2-9-10(13-3-1)6-8-7-12(8)11(9)14-4-5-15-12;3*1-2/h1-6,8H,7H2;3*1-2H3.
What are the key properties of ethane;6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene?
ethane;6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene has a molecular weight of 285.44 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene is sourced from PubChem (CID 145322438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).