N,5-dimethyl-3,4,6,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-8-amine

C10H10N6 — CID 170419893

IUPACN,5-dimethyl-3,4,6,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-8-amine
SMILESCNc1nn2c(C)nnc2c2ccncc12
InChIInChI=1S/C10H10N6/c1-6-13-14-10-7-3-4-12-5-8(7)9(11-2)15-16(6)10/h3-5H,1-2H3,(H,11,15)
InChIKeyYIDBZOFURJGTRE-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.02
Rot. Bonds1

About N,5-dimethyl-3,4,6,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-8-amine

N,5-dimethyl-3,4,6,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-8-amine (PubChem CID 170419893) has the molecular formula C10H10N6 and a molecular weight of 214.23 g/mol. Its IUPAC name is N,5-dimethyl-3,4,6,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-8-amine.

Molecular Properties

Compound NameN,5-dimethyl-3,4,6,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-8-amine
PubChem CID170419893
Molecular FormulaC10H10N6
Molecular Weight214.23 g/mol
Exact Mass214.10
IUPAC NameN,5-dimethyl-3,4,6,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-8-amine
SMILESCNc1nn2c(C)nnc2c2ccncc12
InChIInChI=1S/C10H10N6/c1-6-13-14-10-7-3-4-12-5-8(7)9(11-2)15-16(6)10/h3-5H,1-2H3,(H,11,15)
InChIKeyYIDBZOFURJGTRE-UHFFFAOYSA-N
XLogP1.02
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,5-dimethyl-3,4,6,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-3,4,6,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-8-amine?
The IUPAC name of N,5-dimethyl-3,4,6,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-8-amine (CID 170419893) is N,5-dimethyl-3,4,6,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-8-amine.
What is the SMILES notation for N,5-dimethyl-3,4,6,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-8-amine?
The canonical SMILES for N,5-dimethyl-3,4,6,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-8-amine is CNc1nn2c(C)nnc2c2ccncc12.
What is the InChIKey of N,5-dimethyl-3,4,6,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-8-amine?
The InChIKey is YIDBZOFURJGTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6/c1-6-13-14-10-7-3-4-12-5-8(7)9(11-2)15-16(6)10/h3-5H,1-2H3,(H,11,15).
What are the key properties of N,5-dimethyl-3,4,6,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-8-amine?
N,5-dimethyl-3,4,6,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-8-amine has a molecular weight of 214.23 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-3,4,6,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-8-amine is sourced from PubChem (CID 170419893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).