N,5,12-trimethyl-4-phenyl-3,5,7,10,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine

C16H16N6 — CID 25263283

IUPACN,5,12-trimethyl-4-phenyl-3,5,7,10,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
SMILESCNc1nc2c(nc(-c3ccccc3)n2C)c2c1ncn2C
InChIInChI=1S/C16H16N6/c1-17-14-11-13(21(2)9-18-11)12-16(20-14)22(3)15(19-12)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,17,20)
InChIKeyFUTLJNOGKQFKCL-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.56
Rot. Bonds2

About N,5,12-trimethyl-4-phenyl-3,5,7,10,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine

N,5,12-trimethyl-4-phenyl-3,5,7,10,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine (PubChem CID 25263283) has the molecular formula C16H16N6 and a molecular weight of 292.35 g/mol. Its IUPAC name is N,5,12-trimethyl-4-phenyl-3,5,7,10,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine.

Molecular Properties

Compound NameN,5,12-trimethyl-4-phenyl-3,5,7,10,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
PubChem CID25263283
Molecular FormulaC16H16N6
Molecular Weight292.35 g/mol
Exact Mass292.14
IUPAC NameN,5,12-trimethyl-4-phenyl-3,5,7,10,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
SMILESCNc1nc2c(nc(-c3ccccc3)n2C)c2c1ncn2C
InChIInChI=1S/C16H16N6/c1-17-14-11-13(21(2)9-18-11)12-16(20-14)22(3)15(19-12)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,17,20)
InChIKeyFUTLJNOGKQFKCL-UHFFFAOYSA-N
XLogP2.56
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,5,12-trimethyl-4-phenyl-3,5,7,10,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,5,12-trimethyl-4-phenyl-3,5,7,10,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine?
The IUPAC name of N,5,12-trimethyl-4-phenyl-3,5,7,10,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine (CID 25263283) is N,5,12-trimethyl-4-phenyl-3,5,7,10,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine.
What is the SMILES notation for N,5,12-trimethyl-4-phenyl-3,5,7,10,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine?
The canonical SMILES for N,5,12-trimethyl-4-phenyl-3,5,7,10,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine is CNc1nc2c(nc(-c3ccccc3)n2C)c2c1ncn2C.
What is the InChIKey of N,5,12-trimethyl-4-phenyl-3,5,7,10,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine?
The InChIKey is FUTLJNOGKQFKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6/c1-17-14-11-13(21(2)9-18-11)12-16(20-14)22(3)15(19-12)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,17,20).
What are the key properties of N,5,12-trimethyl-4-phenyl-3,5,7,10,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine?
N,5,12-trimethyl-4-phenyl-3,5,7,10,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine has a molecular weight of 292.35 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,12-trimethyl-4-phenyl-3,5,7,10,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine is sourced from PubChem (CID 25263283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).