10-amino-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrochloride

C10H12ClN3O — CID 19108504

IUPAC10-amino-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrochloride
SMILESCl.NC1Cc2cccc3[nH]c(=O)n(c23)C1
InChIInChI=1S/C10H11N3O.ClH/c11-7-4-6-2-1-3-8-9(6)13(5-7)10(14)12-8;/h1-3,7H,4-5,11H2,(H,12,14);1H
InChIKeyOEUUMGGDPSRRKF-UHFFFAOYSA-N
MW225.68 g/mol
LogP0.63
Rot. Bonds

About 10-amino-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrochloride

10-amino-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrochloride (PubChem CID 19108504) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 10-amino-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrochloride.

Molecular Properties

Compound Name10-amino-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrochloride
PubChem CID19108504
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name10-amino-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrochloride
SMILESCl.NC1Cc2cccc3[nH]c(=O)n(c23)C1
InChIInChI=1S/C10H11N3O.ClH/c11-7-4-6-2-1-3-8-9(6)13(5-7)10(14)12-8;/h1-3,7H,4-5,11H2,(H,12,14);1H
InChIKeyOEUUMGGDPSRRKF-UHFFFAOYSA-N
XLogP0.63
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-amino-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrochloride?
The IUPAC name of 10-amino-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrochloride (CID 19108504) is 10-amino-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrochloride.
What is the SMILES notation for 10-amino-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrochloride?
The canonical SMILES for 10-amino-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrochloride is Cl.NC1Cc2cccc3[nH]c(=O)n(c23)C1.
What is the InChIKey of 10-amino-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrochloride?
The InChIKey is OEUUMGGDPSRRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O.ClH/c11-7-4-6-2-1-3-8-9(6)13(5-7)10(14)12-8;/h1-3,7H,4-5,11H2,(H,12,14);1H.
What are the key properties of 10-amino-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrochloride?
10-amino-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrochloride has a molecular weight of 225.68 g/mol, XLogP of 0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-amino-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrochloride is sourced from PubChem (CID 19108504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).