10-chloro-4,8-dimethyl-2,3,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,7-diol

C11H11ClN4O2 — CID 164903118

IUPAC10-chloro-4,8-dimethyl-2,3,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,7-diol
SMILESCc1cc2n(n1)-c1ccnc(Cl)c1N(C)C2(O)O
InChIInChI=1S/C11H11ClN4O2/c1-6-5-8-11(17,18)15(2)9-7(16(8)14-6)3-4-13-10(9)12/h3-5,17-18H,1-2H3
InChIKeyUBZKLYNGCFQGBL-UHFFFAOYSA-N
MW266.69 g/mol
LogP0.77
Rot. Bonds

About 10-chloro-4,8-dimethyl-2,3,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,7-diol

10-chloro-4,8-dimethyl-2,3,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,7-diol (PubChem CID 164903118) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is 10-chloro-4,8-dimethyl-2,3,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,7-diol.

Molecular Properties

Compound Name10-chloro-4,8-dimethyl-2,3,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,7-diol
PubChem CID164903118
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC Name10-chloro-4,8-dimethyl-2,3,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,7-diol
SMILESCc1cc2n(n1)-c1ccnc(Cl)c1N(C)C2(O)O
InChIInChI=1S/C11H11ClN4O2/c1-6-5-8-11(17,18)15(2)9-7(16(8)14-6)3-4-13-10(9)12/h3-5,17-18H,1-2H3
InChIKeyUBZKLYNGCFQGBL-UHFFFAOYSA-N
XLogP0.77
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 10-chloro-4,8-dimethyl-2,3,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,7-diol with MolForge

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Related Compounds

10-chloro-4,8-dimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene
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CID 174092577
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3-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine;ethane
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4-chloro-2-methylpyrazolo[1,5-a]pyrazine
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(7S)-10-chloro-4,7,8-trimethyl-2,4,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,10,12-tetraen-3-one
CID 170348157
4-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine
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2-(3,5-dimethylpyrazol-1-yl)-3-fluoropyridine
CID 63810538
1-[3-(2-chloro-3-fluoro-4-pyridinyl)-5-methyltriazol-4-yl]ethanone
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5-chloro-1,2-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazine
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5-chloro-3-methyl-1-phenylpyrazole
CID 2735771
4-chloro-2-methyltriazolo[4,5-c]pyridine
CID 90481612

Frequently Asked Questions

What is the IUPAC name of 10-chloro-4,8-dimethyl-2,3,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,7-diol?
The IUPAC name of 10-chloro-4,8-dimethyl-2,3,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,7-diol (CID 164903118) is 10-chloro-4,8-dimethyl-2,3,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,7-diol.
What is the SMILES notation for 10-chloro-4,8-dimethyl-2,3,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,7-diol?
The canonical SMILES for 10-chloro-4,8-dimethyl-2,3,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,7-diol is Cc1cc2n(n1)-c1ccnc(Cl)c1N(C)C2(O)O.
What is the InChIKey of 10-chloro-4,8-dimethyl-2,3,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,7-diol?
The InChIKey is UBZKLYNGCFQGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c1-6-5-8-11(17,18)15(2)9-7(16(8)14-6)3-4-13-10(9)12/h3-5,17-18H,1-2H3.
What are the key properties of 10-chloro-4,8-dimethyl-2,3,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,7-diol?
10-chloro-4,8-dimethyl-2,3,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,7-diol has a molecular weight of 266.69 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-4,8-dimethyl-2,3,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,7-diol is sourced from PubChem (CID 164903118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).