4-methoxy-10,11,13-trimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene;hydrochloride

C13H19ClN4O — CID 143585372

IUPAC4-methoxy-10,11,13-trimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene;hydrochloride
SMILESCON1C=C2C=NC3=C(N(C)CC(C)=C3C)N2C1.Cl
InChIInChI=1S/C13H18N4O.ClH/c1-9-6-15(3)13-12(10(9)2)14-5-11-7-16(18-4)8-17(11)13;/h5,7H,6,8H2,1-4H3;1H
InChIKeyLBYBQZSNQRXVQD-UHFFFAOYSA-N
MW282.78 g/mol
LogP1.92
Rot. Bonds1

About 4-methoxy-10,11,13-trimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene;hydrochloride

4-methoxy-10,11,13-trimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene;hydrochloride (PubChem CID 143585372) has the molecular formula C13H19ClN4O and a molecular weight of 282.78 g/mol. Its IUPAC name is 4-methoxy-10,11,13-trimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene;hydrochloride.

Molecular Properties

Compound Name4-methoxy-10,11,13-trimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene;hydrochloride
PubChem CID143585372
Molecular FormulaC13H19ClN4O
Molecular Weight282.78 g/mol
Exact Mass282.12
IUPAC Name4-methoxy-10,11,13-trimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene;hydrochloride
SMILESCON1C=C2C=NC3=C(N(C)CC(C)=C3C)N2C1.Cl
InChIInChI=1S/C13H18N4O.ClH/c1-9-6-15(3)13-12(10(9)2)14-5-11-7-16(18-4)8-17(11)13;/h5,7H,6,8H2,1-4H3;1H
InChIKeyLBYBQZSNQRXVQD-UHFFFAOYSA-N
XLogP1.92
TPSA31.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.78
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-10,11,13-trimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene;hydrochloride?
The IUPAC name of 4-methoxy-10,11,13-trimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene;hydrochloride (CID 143585372) is 4-methoxy-10,11,13-trimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene;hydrochloride.
What is the SMILES notation for 4-methoxy-10,11,13-trimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene;hydrochloride?
The canonical SMILES for 4-methoxy-10,11,13-trimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene;hydrochloride is CON1C=C2C=NC3=C(N(C)CC(C)=C3C)N2C1.Cl.
What is the InChIKey of 4-methoxy-10,11,13-trimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene;hydrochloride?
The InChIKey is LBYBQZSNQRXVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O.ClH/c1-9-6-15(3)13-12(10(9)2)14-5-11-7-16(18-4)8-17(11)13;/h5,7H,6,8H2,1-4H3;1H.
What are the key properties of 4-methoxy-10,11,13-trimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene;hydrochloride?
4-methoxy-10,11,13-trimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene;hydrochloride has a molecular weight of 282.78 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-10,11,13-trimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene;hydrochloride is sourced from PubChem (CID 143585372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).