2-amino-2-methyl-3-(4,6,7-trichloroindazol-2-yl)propanenitrile

C11H9Cl3N4 — CID 66620891

IUPAC2-amino-2-methyl-3-(4,6,7-trichloroindazol-2-yl)propanenitrile
SMILESCC(N)(C#N)Cn1cc2c(Cl)cc(Cl)c(Cl)c2n1
InChIInChI=1S/C11H9Cl3N4/c1-11(16,4-15)5-18-3-6-7(12)2-8(13)9(14)10(6)17-18/h2-3H,5,16H2,1H3
InChIKeyUINOCNOZWDXQGR-UHFFFAOYSA-N
MW303.58 g/mol
LogP3.24
Rot. Bonds2

About 2-amino-2-methyl-3-(4,6,7-trichloroindazol-2-yl)propanenitrile

2-amino-2-methyl-3-(4,6,7-trichloroindazol-2-yl)propanenitrile (PubChem CID 66620891) has the molecular formula C11H9Cl3N4 and a molecular weight of 303.58 g/mol. Its IUPAC name is 2-amino-2-methyl-3-(4,6,7-trichloroindazol-2-yl)propanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-3-(4,6,7-trichloroindazol-2-yl)propanenitrile
PubChem CID66620891
Molecular FormulaC11H9Cl3N4
Molecular Weight303.58 g/mol
Exact Mass301.99
IUPAC Name2-amino-2-methyl-3-(4,6,7-trichloroindazol-2-yl)propanenitrile
SMILESCC(N)(C#N)Cn1cc2c(Cl)cc(Cl)c(Cl)c2n1
InChIInChI=1S/C11H9Cl3N4/c1-11(16,4-15)5-18-3-6-7(12)2-8(13)9(14)10(6)17-18/h2-3H,5,16H2,1H3
InChIKeyUINOCNOZWDXQGR-UHFFFAOYSA-N
XLogP3.24
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.58
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-nitro-3-(4,6,7-trichloroindazol-2-yl)propan-2-amine
CID 137404520
4-cyano-2-[2-cyano-1-(4,6,7-trichloroindazol-2-yl)propan-2-yl]benzamide
CID 91571954
2-amino-3-(5,7-dichloro-4-fluorobenzotriazol-2-yl)-2-methylpropanenitrile
CID 66619927
2-amino-3-(7-bromopyrazolo[3,4-c]pyridin-2-yl)-2-methylpropanenitrile
CID 86641840
2-amino-3-(6-chloro-4-methylbenzotriazol-2-yl)-2-methylpropanenitrile
CID 66620166
(2S)-2-amino-3-(4-bromopyrazol-1-yl)-2-methylpropanenitrile
CID 94043718
3-(4-amino-3-methylpyrazol-1-yl)-2,2-dimethylpropanenitrile
CID 90104790
2-amino-3-(4-chlorophenyl)-2-methylpropanenitrile
CID 82076008
N-[2-cyano-1-(4,6-dichloroindazol-2-yl)propan-2-yl]-4-(trifluoromethyl)benzenecarbothioamide
CID 86625588
2-amino-2-(5-chloro-3-pyridinyl)propanenitrile
CID 167521779
2-amino-4-(2,6-dichloro-4-nitrophenoxy)-2-methylbutanenitrile
CID 62098810
1-(5-amino-5-cyanohexyl)imidazole-4,5-dicarbonitrile
CID 112595359

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-3-(4,6,7-trichloroindazol-2-yl)propanenitrile?
The IUPAC name of 2-amino-2-methyl-3-(4,6,7-trichloroindazol-2-yl)propanenitrile (CID 66620891) is 2-amino-2-methyl-3-(4,6,7-trichloroindazol-2-yl)propanenitrile.
What is the SMILES notation for 2-amino-2-methyl-3-(4,6,7-trichloroindazol-2-yl)propanenitrile?
The canonical SMILES for 2-amino-2-methyl-3-(4,6,7-trichloroindazol-2-yl)propanenitrile is CC(N)(C#N)Cn1cc2c(Cl)cc(Cl)c(Cl)c2n1.
What is the InChIKey of 2-amino-2-methyl-3-(4,6,7-trichloroindazol-2-yl)propanenitrile?
The InChIKey is UINOCNOZWDXQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3N4/c1-11(16,4-15)5-18-3-6-7(12)2-8(13)9(14)10(6)17-18/h2-3H,5,16H2,1H3.
What are the key properties of 2-amino-2-methyl-3-(4,6,7-trichloroindazol-2-yl)propanenitrile?
2-amino-2-methyl-3-(4,6,7-trichloroindazol-2-yl)propanenitrile has a molecular weight of 303.58 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-3-(4,6,7-trichloroindazol-2-yl)propanenitrile is sourced from PubChem (CID 66620891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).