N',N'-diethyl-N-(6-fluoro-1-methylindazol-3-yl)ethane-1,2-diamine

C14H21FN4 — CID 130182373

IUPACN',N'-diethyl-N-(6-fluoro-1-methylindazol-3-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNc1nn(C)c2cc(F)ccc12
InChIInChI=1S/C14H21FN4/c1-4-19(5-2)9-8-16-14-12-7-6-11(15)10-13(12)18(3)17-14/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,17)
InChIKeyHIHGIXWQVOPARO-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.47
Rot. Bonds6

About N',N'-diethyl-N-(6-fluoro-1-methylindazol-3-yl)ethane-1,2-diamine

N',N'-diethyl-N-(6-fluoro-1-methylindazol-3-yl)ethane-1,2-diamine (PubChem CID 130182373) has the molecular formula C14H21FN4 and a molecular weight of 264.35 g/mol. Its IUPAC name is N',N'-diethyl-N-(6-fluoro-1-methylindazol-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(6-fluoro-1-methylindazol-3-yl)ethane-1,2-diamine
PubChem CID130182373
Molecular FormulaC14H21FN4
Molecular Weight264.35 g/mol
Exact Mass264.18
IUPAC NameN',N'-diethyl-N-(6-fluoro-1-methylindazol-3-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNc1nn(C)c2cc(F)ccc12
InChIInChI=1S/C14H21FN4/c1-4-19(5-2)9-8-16-14-12-7-6-11(15)10-13(12)18(3)17-14/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,17)
InChIKeyHIHGIXWQVOPARO-UHFFFAOYSA-N
XLogP2.47
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(6-fluoro-1-methylindazol-3-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(6-fluoro-1-methylindazol-3-yl)ethane-1,2-diamine (CID 130182373) is N',N'-diethyl-N-(6-fluoro-1-methylindazol-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(6-fluoro-1-methylindazol-3-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(6-fluoro-1-methylindazol-3-yl)ethane-1,2-diamine is CCN(CC)CCNc1nn(C)c2cc(F)ccc12.
What is the InChIKey of N',N'-diethyl-N-(6-fluoro-1-methylindazol-3-yl)ethane-1,2-diamine?
The InChIKey is HIHGIXWQVOPARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4/c1-4-19(5-2)9-8-16-14-12-7-6-11(15)10-13(12)18(3)17-14/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,17).
What are the key properties of N',N'-diethyl-N-(6-fluoro-1-methylindazol-3-yl)ethane-1,2-diamine?
N',N'-diethyl-N-(6-fluoro-1-methylindazol-3-yl)ethane-1,2-diamine has a molecular weight of 264.35 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(6-fluoro-1-methylindazol-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 130182373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).