2-N-(5-fluoro-1-methylindazol-3-yl)propane-1,2-diamine

C11H15FN4 — CID 83838712

IUPAC2-N-(5-fluoro-1-methylindazol-3-yl)propane-1,2-diamine
SMILESCC(CN)Nc1nn(C)c2ccc(F)cc12
InChIInChI=1S/C11H15FN4/c1-7(6-13)14-11-9-5-8(12)3-4-10(9)16(2)15-11/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeyFXCXMQOCNLCDKO-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.47
Rot. Bonds3

About 2-N-(5-fluoro-1-methylindazol-3-yl)propane-1,2-diamine

2-N-(5-fluoro-1-methylindazol-3-yl)propane-1,2-diamine (PubChem CID 83838712) has the molecular formula C11H15FN4 and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-N-(5-fluoro-1-methylindazol-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-fluoro-1-methylindazol-3-yl)propane-1,2-diamine
PubChem CID83838712
Molecular FormulaC11H15FN4
Molecular Weight222.27 g/mol
Exact Mass222.13
IUPAC Name2-N-(5-fluoro-1-methylindazol-3-yl)propane-1,2-diamine
SMILESCC(CN)Nc1nn(C)c2ccc(F)cc12
InChIInChI=1S/C11H15FN4/c1-7(6-13)14-11-9-5-8(12)3-4-10(9)16(2)15-11/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeyFXCXMQOCNLCDKO-UHFFFAOYSA-N
XLogP1.47
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-fluoro-1-methylindazol-3-yl)methanamine
CID 82600067
5-fluoro-1-methyl-3-propan-2-ylindazole
CID 118489326
5-fluoro-1-methyl-3-(methylsulfonylmethyl)indazole
CID 123278139
2-N-(6-fluoro-1,3-benzoxazol-2-yl)propane-1,2-diamine
CID 83834399
2-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-1H-indol-3-yl)ethanamine
CID 83987557
6-fluoro-1-methylindazol-3-amine
CID 15239650
2-amino-1-(5-fluoro-1-methylindol-3-yl)ethanol
CID 82278863
5-fluoro-3-isocyanato-1-methylindazole
CID 83915484
2-(1-aminopropan-2-ylamino)-5-fluorobenzamide
CID 63731312
N',N'-diethyl-N-(6-fluoro-1-methylindazol-3-yl)ethane-1,2-diamine
CID 130182373
6-[1-(4-fluorophenyl)propan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 60966380
2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63730898

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-fluoro-1-methylindazol-3-yl)propane-1,2-diamine?
The IUPAC name of 2-N-(5-fluoro-1-methylindazol-3-yl)propane-1,2-diamine (CID 83838712) is 2-N-(5-fluoro-1-methylindazol-3-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(5-fluoro-1-methylindazol-3-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-(5-fluoro-1-methylindazol-3-yl)propane-1,2-diamine is CC(CN)Nc1nn(C)c2ccc(F)cc12.
What is the InChIKey of 2-N-(5-fluoro-1-methylindazol-3-yl)propane-1,2-diamine?
The InChIKey is FXCXMQOCNLCDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4/c1-7(6-13)14-11-9-5-8(12)3-4-10(9)16(2)15-11/h3-5,7H,6,13H2,1-2H3,(H,14,15).
What are the key properties of 2-N-(5-fluoro-1-methylindazol-3-yl)propane-1,2-diamine?
2-N-(5-fluoro-1-methylindazol-3-yl)propane-1,2-diamine has a molecular weight of 222.27 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-fluoro-1-methylindazol-3-yl)propane-1,2-diamine is sourced from PubChem (CID 83838712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).