2-cyclopropyl-7,12-dimethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,13-pentaen-10-one

C16H18N4O — CID 143934392

IUPAC2-cyclopropyl-7,12-dimethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,13-pentaen-10-one
SMILESCc1ccnc2c1NC(=O)C1C(=NC=CC1C)N2C1CC1
InChIInChI=1S/C16H18N4O/c1-9-5-7-17-14-12(9)16(21)19-13-10(2)6-8-18-15(13)20(14)11-3-4-11/h5-9,11-12H,3-4H2,1-2H3,(H,19,21)
InChIKeyVIJJZZRSSXEPHX-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.49
Rot. Bonds1

About 2-cyclopropyl-7,12-dimethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,13-pentaen-10-one

2-cyclopropyl-7,12-dimethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,13-pentaen-10-one (PubChem CID 143934392) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-cyclopropyl-7,12-dimethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,13-pentaen-10-one.

Molecular Properties

Compound Name2-cyclopropyl-7,12-dimethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,13-pentaen-10-one
PubChem CID143934392
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-cyclopropyl-7,12-dimethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,13-pentaen-10-one
SMILESCc1ccnc2c1NC(=O)C1C(=NC=CC1C)N2C1CC1
InChIInChI=1S/C16H18N4O/c1-9-5-7-17-14-12(9)16(21)19-13-10(2)6-8-18-15(13)20(14)11-3-4-11/h5-9,11-12H,3-4H2,1-2H3,(H,19,21)
InChIKeyVIJJZZRSSXEPHX-UHFFFAOYSA-N
XLogP2.49
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7,12-dimethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,13-pentaen-10-one?
The IUPAC name of 2-cyclopropyl-7,12-dimethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,13-pentaen-10-one (CID 143934392) is 2-cyclopropyl-7,12-dimethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,13-pentaen-10-one.
What is the SMILES notation for 2-cyclopropyl-7,12-dimethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,13-pentaen-10-one?
The canonical SMILES for 2-cyclopropyl-7,12-dimethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,13-pentaen-10-one is Cc1ccnc2c1NC(=O)C1C(=NC=CC1C)N2C1CC1.
What is the InChIKey of 2-cyclopropyl-7,12-dimethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,13-pentaen-10-one?
The InChIKey is VIJJZZRSSXEPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-9-5-7-17-14-12(9)16(21)19-13-10(2)6-8-18-15(13)20(14)11-3-4-11/h5-9,11-12H,3-4H2,1-2H3,(H,19,21).
What are the key properties of 2-cyclopropyl-7,12-dimethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,13-pentaen-10-one?
2-cyclopropyl-7,12-dimethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,13-pentaen-10-one has a molecular weight of 282.35 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7,12-dimethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,13-pentaen-10-one is sourced from PubChem (CID 143934392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).