4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-5-amine

C12H10N6 — CID 67434337

IUPAC4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-5-amine
SMILESNc1ncc2c(n1)CCc1cnc3[nH]ncc3c1-2
InChIInChI=1S/C12H10N6/c13-12-15-4-7-9(17-12)2-1-6-3-14-11-8(10(6)7)5-16-18-11/h3-5H,1-2H2,(H2,13,15,17)(H,14,16,18)
InChIKeyOVFKATPJTPIBAL-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.10
Rot. Bonds

About 4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-5-amine

4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-5-amine (PubChem CID 67434337) has the molecular formula C12H10N6 and a molecular weight of 238.25 g/mol. Its IUPAC name is 4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-5-amine.

Molecular Properties

Compound Name4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-5-amine
PubChem CID67434337
Molecular FormulaC12H10N6
Molecular Weight238.25 g/mol
Exact Mass238.10
IUPAC Name4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-5-amine
SMILESNc1ncc2c(n1)CCc1cnc3[nH]ncc3c1-2
InChIInChI=1S/C12H10N6/c13-12-15-4-7-9(17-12)2-1-6-3-14-11-8(10(6)7)5-16-18-11/h3-5H,1-2H2,(H2,13,15,17)(H,14,16,18)
InChIKeyOVFKATPJTPIBAL-UHFFFAOYSA-N
XLogP1.10
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-5-amine?
The IUPAC name of 4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-5-amine (CID 67434337) is 4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-5-amine.
What is the SMILES notation for 4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-5-amine?
The canonical SMILES for 4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-5-amine is Nc1ncc2c(n1)CCc1cnc3[nH]ncc3c1-2.
What is the InChIKey of 4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-5-amine?
The InChIKey is OVFKATPJTPIBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6/c13-12-15-4-7-9(17-12)2-1-6-3-14-11-8(10(6)7)5-16-18-11/h3-5H,1-2H2,(H2,13,15,17)(H,14,16,18).
What are the key properties of 4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-5-amine?
4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-5-amine has a molecular weight of 238.25 g/mol, XLogP of 1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-5-amine is sourced from PubChem (CID 67434337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).