2-amino-2-methyl-3-(5-nitroindazol-1-yl)propanenitrile

C11H11N5O2 — CID 69339825

IUPAC2-amino-2-methyl-3-(5-nitroindazol-1-yl)propanenitrile
SMILESCC(N)(C#N)Cn1ncc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C11H11N5O2/c1-11(13,6-12)7-15-10-3-2-9(16(17)18)4-8(10)5-14-15/h2-5H,7,13H2,1H3
InChIKeyYHXASTUNNQQOCY-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.19
Rot. Bonds3

About 2-amino-2-methyl-3-(5-nitroindazol-1-yl)propanenitrile

2-amino-2-methyl-3-(5-nitroindazol-1-yl)propanenitrile (PubChem CID 69339825) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-amino-2-methyl-3-(5-nitroindazol-1-yl)propanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-3-(5-nitroindazol-1-yl)propanenitrile
PubChem CID69339825
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name2-amino-2-methyl-3-(5-nitroindazol-1-yl)propanenitrile
SMILESCC(N)(C#N)Cn1ncc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C11H11N5O2/c1-11(13,6-12)7-15-10-3-2-9(16(17)18)4-8(10)5-14-15/h2-5H,7,13H2,1H3
InChIKeyYHXASTUNNQQOCY-UHFFFAOYSA-N
XLogP1.19
TPSA110.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-5-nitroindazole
CID 15147634
2-[2-cyano-1-(5-nitroindazol-1-yl)propan-2-yl]-4-(trifluoromethoxy)benzamide
CID 142670924
1-[(2R)-2-methoxypropyl]-5-nitroindazole
CID 141387350
4-[(5-nitroindazol-1-yl)methyl]-1,3-thiazole
CID 68618758
tert-butyl N-[3-(5-nitroindazol-1-yl)propyl]carbamate
CID 172610258
1-[(4-methylsulfonylpiperazin-1-yl)methyl]-5-nitroindazole
CID 35956497
1-[(6-fluoro-3-pyridinyl)methyl]-5-nitroindazole
CID 68619624
2-methyl-N-[3-(6-nitroindazol-1-yl)propyl]propan-2-amine
CID 61387689
tert-butyl 5-nitroindazole-1-carboxylate
CID 11499917
1-[(4-tert-butylphenyl)methyl]-6-nitroindazole
CID 16796352
N-[3-(5-nitroindazol-1-yl)propyl]pyridin-2-amine
CID 10518107
ethyl 1-[(5-nitroindazol-1-yl)methyl]piperidine-4-carboxylate
CID 29427718

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-3-(5-nitroindazol-1-yl)propanenitrile?
The IUPAC name of 2-amino-2-methyl-3-(5-nitroindazol-1-yl)propanenitrile (CID 69339825) is 2-amino-2-methyl-3-(5-nitroindazol-1-yl)propanenitrile.
What is the SMILES notation for 2-amino-2-methyl-3-(5-nitroindazol-1-yl)propanenitrile?
The canonical SMILES for 2-amino-2-methyl-3-(5-nitroindazol-1-yl)propanenitrile is CC(N)(C#N)Cn1ncc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 2-amino-2-methyl-3-(5-nitroindazol-1-yl)propanenitrile?
The InChIKey is YHXASTUNNQQOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-11(13,6-12)7-15-10-3-2-9(16(17)18)4-8(10)5-14-15/h2-5H,7,13H2,1H3.
What are the key properties of 2-amino-2-methyl-3-(5-nitroindazol-1-yl)propanenitrile?
2-amino-2-methyl-3-(5-nitroindazol-1-yl)propanenitrile has a molecular weight of 245.24 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-3-(5-nitroindazol-1-yl)propanenitrile is sourced from PubChem (CID 69339825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).