1-N-(6,7-difluorocinnolin-4-yl)-1-N,2-N-dimethylpropane-1,2-diamine

C13H16F2N4 — CID 154197429

IUPAC1-N-(6,7-difluorocinnolin-4-yl)-1-N,2-N-dimethylpropane-1,2-diamine
SMILESCNC(C)CN(C)c1cnnc2cc(F)c(F)cc12
InChIInChI=1S/C13H16F2N4/c1-8(16-2)7-19(3)13-6-17-18-12-5-11(15)10(14)4-9(12)13/h4-6,8,16H,7H2,1-3H3
InChIKeyDIZXWLCEHYNTIP-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.95
Rot. Bonds4

About 1-N-(6,7-difluorocinnolin-4-yl)-1-N,2-N-dimethylpropane-1,2-diamine

1-N-(6,7-difluorocinnolin-4-yl)-1-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 154197429) has the molecular formula C13H16F2N4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-N-(6,7-difluorocinnolin-4-yl)-1-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(6,7-difluorocinnolin-4-yl)-1-N,2-N-dimethylpropane-1,2-diamine
PubChem CID154197429
Molecular FormulaC13H16F2N4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name1-N-(6,7-difluorocinnolin-4-yl)-1-N,2-N-dimethylpropane-1,2-diamine
SMILESCNC(C)CN(C)c1cnnc2cc(F)c(F)cc12
InChIInChI=1S/C13H16F2N4/c1-8(16-2)7-19(3)13-6-17-18-12-5-11(15)10(14)4-9(12)13/h4-6,8,16H,7H2,1-3H3
InChIKeyDIZXWLCEHYNTIP-UHFFFAOYSA-N
XLogP1.95
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(6,7-difluorocinnolin-4-yl)-1-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-(6,7-difluorocinnolin-4-yl)-1-N,2-N-dimethylpropane-1,2-diamine (CID 154197429) is 1-N-(6,7-difluorocinnolin-4-yl)-1-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(6,7-difluorocinnolin-4-yl)-1-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-(6,7-difluorocinnolin-4-yl)-1-N,2-N-dimethylpropane-1,2-diamine is CNC(C)CN(C)c1cnnc2cc(F)c(F)cc12.
What is the InChIKey of 1-N-(6,7-difluorocinnolin-4-yl)-1-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is DIZXWLCEHYNTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4/c1-8(16-2)7-19(3)13-6-17-18-12-5-11(15)10(14)4-9(12)13/h4-6,8,16H,7H2,1-3H3.
What are the key properties of 1-N-(6,7-difluorocinnolin-4-yl)-1-N,2-N-dimethylpropane-1,2-diamine?
1-N-(6,7-difluorocinnolin-4-yl)-1-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 266.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6,7-difluorocinnolin-4-yl)-1-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 154197429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).