13-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaen-11-one

C16H12ClN5O2 — CID 21289963

IUPAC13-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaen-11-one
SMILESCc1nnc(-c2ncn3c2C2CCN2C(=O)c2c(Cl)cccc2-3)o1
InChIInChI=1S/C16H12ClN5O2/c1-8-19-20-15(24-8)13-14-11-5-6-21(11)16(23)12-9(17)3-2-4-10(12)22(14)7-18-13/h2-4,7,11H,5-6H2,1H3
InChIKeyPIUGRJPWRKGLHO-UHFFFAOYSA-N
MW341.76 g/mol
LogP2.78
Rot. Bonds1

About 13-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaen-11-one

13-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaen-11-one (PubChem CID 21289963) has the molecular formula C16H12ClN5O2 and a molecular weight of 341.76 g/mol. Its IUPAC name is 13-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaen-11-one.

Molecular Properties

Compound Name13-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaen-11-one
PubChem CID21289963
Molecular FormulaC16H12ClN5O2
Molecular Weight341.76 g/mol
Exact Mass341.07
IUPAC Name13-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaen-11-one
SMILESCc1nnc(-c2ncn3c2C2CCN2C(=O)c2c(Cl)cccc2-3)o1
InChIInChI=1S/C16H12ClN5O2/c1-8-19-20-15(24-8)13-14-11-5-6-21(11)16(23)12-9(17)3-2-4-10(12)22(14)7-18-13/h2-4,7,11H,5-6H2,1H3
InChIKeyPIUGRJPWRKGLHO-UHFFFAOYSA-N
XLogP2.78
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.76
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 13-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaen-11-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaen-11-one?
The IUPAC name of 13-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaen-11-one (CID 21289963) is 13-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaen-11-one.
What is the SMILES notation for 13-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaen-11-one?
The canonical SMILES for 13-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaen-11-one is Cc1nnc(-c2ncn3c2C2CCN2C(=O)c2c(Cl)cccc2-3)o1.
What is the InChIKey of 13-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaen-11-one?
The InChIKey is PIUGRJPWRKGLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5O2/c1-8-19-20-15(24-8)13-14-11-5-6-21(11)16(23)12-9(17)3-2-4-10(12)22(14)7-18-13/h2-4,7,11H,5-6H2,1H3.
What are the key properties of 13-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaen-11-one?
13-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaen-11-one has a molecular weight of 341.76 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaen-11-one is sourced from PubChem (CID 21289963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).