15-ethyl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene

C15H14N4 — CID 139688222

IUPAC15-ethyl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene
SMILESCCc1nnc2cc3c(nn12)-c1ccccc1CC3
InChIInChI=1S/C15H14N4/c1-2-13-16-17-14-9-11-8-7-10-5-3-4-6-12(10)15(11)18-19(13)14/h3-6,9H,2,7-8H2,1H3
InChIKeyIXIKECDMWDBRPW-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.45
Rot. Bonds1

About 15-ethyl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene

15-ethyl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene (PubChem CID 139688222) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 15-ethyl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene.

Molecular Properties

Compound Name15-ethyl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene
PubChem CID139688222
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name15-ethyl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene
SMILESCCc1nnc2cc3c(nn12)-c1ccccc1CC3
InChIInChI=1S/C15H14N4/c1-2-13-16-17-14-9-11-8-7-10-5-3-4-6-12(10)15(11)18-19(13)14/h3-6,9H,2,7-8H2,1H3
InChIKeyIXIKECDMWDBRPW-UHFFFAOYSA-N
XLogP2.45
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 15-ethyl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene with MolForge

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Related Compounds

15-pyridin-4-yl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene
CID 139688243
4-chloro-15-phenyl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2(7),3,5,10,12,14-heptaene
CID 139688206
5-methyl-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene;propane
CID 143719339
N-methyl-8-thia-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaen-15-amine
CID 139688216
3-methyl-5,6-dihydrobenzo[h]quinoline
CID 59294831
8-thia-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaen-15-amine
CID 139688202
3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 89233361
2-[(2,6-dichlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one
CID 3782055
9,10-dihydrophenanthrene;ethane
CID 143759681
2-azapentacyclo[13.9.0.03,13.04,9.019,24]tetracosa-1,3(13),4,6,8,14,19,21,23-nonaene
CID 162691751
5,6-dihydrobenzo[c]acridine
CID 1482217
6-cyclopropyloxy-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine;ethane
CID 91504680

Frequently Asked Questions

What is the IUPAC name of 15-ethyl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene?
The IUPAC name of 15-ethyl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene (CID 139688222) is 15-ethyl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene.
What is the SMILES notation for 15-ethyl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene?
The canonical SMILES for 15-ethyl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene is CCc1nnc2cc3c(nn12)-c1ccccc1CC3.
What is the InChIKey of 15-ethyl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene?
The InChIKey is IXIKECDMWDBRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-2-13-16-17-14-9-11-8-7-10-5-3-4-6-12(10)15(11)18-19(13)14/h3-6,9H,2,7-8H2,1H3.
What are the key properties of 15-ethyl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene?
15-ethyl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene has a molecular weight of 250.31 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-ethyl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene is sourced from PubChem (CID 139688222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).