N-(1H-indazol-3-yl)-N',N'-dimethylethane-1,2-diamine

C11H16N4 — CID 3068044

IUPACN-(1H-indazol-3-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1n[nH]c2ccccc12
InChIInChI=1S/C11H16N4/c1-15(2)8-7-12-11-9-5-3-4-6-10(9)13-14-11/h3-6H,7-8H2,1-2H3,(H2,12,13,14)
InChIKeyWGACVTNJAJTWFD-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.54
Rot. Bonds4

About N-(1H-indazol-3-yl)-N',N'-dimethylethane-1,2-diamine

N-(1H-indazol-3-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 3068044) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is N-(1H-indazol-3-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1H-indazol-3-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID3068044
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC NameN-(1H-indazol-3-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1n[nH]c2ccccc12
InChIInChI=1S/C11H16N4/c1-15(2)8-7-12-11-9-5-3-4-6-10(9)13-14-11/h3-6H,7-8H2,1-2H3,(H2,12,13,14)
InChIKeyWGACVTNJAJTWFD-UHFFFAOYSA-N
XLogP1.54
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-3-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(1H-indazol-3-yl)-N',N'-dimethylethane-1,2-diamine (CID 3068044) is N-(1H-indazol-3-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(1H-indazol-3-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(1H-indazol-3-yl)-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1n[nH]c2ccccc12.
What is the InChIKey of N-(1H-indazol-3-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is WGACVTNJAJTWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-15(2)8-7-12-11-9-5-3-4-6-10(9)13-14-11/h3-6H,7-8H2,1-2H3,(H2,12,13,14).
What are the key properties of N-(1H-indazol-3-yl)-N',N'-dimethylethane-1,2-diamine?
N-(1H-indazol-3-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 204.28 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-3-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 3068044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).