5-cyclopentyl-3,4-dimethyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaene

C19H20N4 — CID 7692894

IUPAC5-cyclopentyl-3,4-dimethyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaene
SMILESCc1c(C)n(C2CCCC2)c2ncn3c4ccccc4nc3c12
InChIInChI=1S/C19H20N4/c1-12-13(2)23(14-7-3-4-8-14)18-17(12)19-21-15-9-5-6-10-16(15)22(19)11-20-18/h5-6,9-11,14H,3-4,7-8H2,1-2H3
InChIKeyXPRJLHPTRCWWTR-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.57
Rot. Bonds1

About 5-cyclopentyl-3,4-dimethyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaene

5-cyclopentyl-3,4-dimethyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaene (PubChem CID 7692894) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 5-cyclopentyl-3,4-dimethyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaene.

Molecular Properties

Compound Name5-cyclopentyl-3,4-dimethyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaene
PubChem CID7692894
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name5-cyclopentyl-3,4-dimethyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaene
SMILESCc1c(C)n(C2CCCC2)c2ncn3c4ccccc4nc3c12
InChIInChI=1S/C19H20N4/c1-12-13(2)23(14-7-3-4-8-14)18-17(12)19-21-15-9-5-6-10-16(15)22(19)11-20-18/h5-6,9-11,14H,3-4,7-8H2,1-2H3
InChIKeyXPRJLHPTRCWWTR-UHFFFAOYSA-N
XLogP4.57
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-cyclopentyl-3,4-dimethyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3,4-dimethyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaene?
The IUPAC name of 5-cyclopentyl-3,4-dimethyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaene (CID 7692894) is 5-cyclopentyl-3,4-dimethyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaene.
What is the SMILES notation for 5-cyclopentyl-3,4-dimethyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaene?
The canonical SMILES for 5-cyclopentyl-3,4-dimethyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaene is Cc1c(C)n(C2CCCC2)c2ncn3c4ccccc4nc3c12.
What is the InChIKey of 5-cyclopentyl-3,4-dimethyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaene?
The InChIKey is XPRJLHPTRCWWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-12-13(2)23(14-7-3-4-8-14)18-17(12)19-21-15-9-5-6-10-16(15)22(19)11-20-18/h5-6,9-11,14H,3-4,7-8H2,1-2H3.
What are the key properties of 5-cyclopentyl-3,4-dimethyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaene?
5-cyclopentyl-3,4-dimethyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaene has a molecular weight of 304.40 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3,4-dimethyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaene is sourced from PubChem (CID 7692894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).