N-methyl-3-(5-nitro-2H-indazol-3-yl)prop-2-en-1-amine

C11H12N4O2 — CID 169474370

IUPACN-methyl-3-(5-nitro-2H-indazol-3-yl)prop-2-en-1-amine
SMILESCNCC=Cc1[nH]nc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C11H12N4O2/c1-12-6-2-3-10-9-7-8(15(16)17)4-5-11(9)14-13-10/h2-5,7,12H,6H2,1H3,(H,13,14)
InChIKeyDEVGWPQLMBGUHP-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.70
Rot. Bonds4

About N-methyl-3-(5-nitro-2H-indazol-3-yl)prop-2-en-1-amine

N-methyl-3-(5-nitro-2H-indazol-3-yl)prop-2-en-1-amine (PubChem CID 169474370) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-methyl-3-(5-nitro-2H-indazol-3-yl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-3-(5-nitro-2H-indazol-3-yl)prop-2-en-1-amine
PubChem CID169474370
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN-methyl-3-(5-nitro-2H-indazol-3-yl)prop-2-en-1-amine
SMILESCNCC=Cc1[nH]nc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C11H12N4O2/c1-12-6-2-3-10-9-7-8(15(16)17)4-5-11(9)14-13-10/h2-5,7,12H,6H2,1H3,(H,13,14)
InChIKeyDEVGWPQLMBGUHP-UHFFFAOYSA-N
XLogP1.70
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-(5-nitro-2H-indazol-3-yl)prop-2-ene-1-thiol
CID 169455971
methyl 3-(5-nitro-2H-indazol-3-yl)prop-2-enoate
CID 169479593
2-[3-(methylamino)prop-1-enyl]-4-nitrophenol
CID 169474036
N-methyl-3-(5-nitro-2-pyridinyl)prop-2-en-1-amine
CID 169473566
4-(methylamino)-1-(6-nitro-2H-indazol-3-yl)butane-1,2-diol
CID 171891378
4-N-methyl-6-nitro-2-N-prop-2-enylquinazoline-2,4-diamine
CID 18326558
3-bromo-2H-indazol-5-amine;3-bromo-5-nitro-2H-indazole
CID 159473762
3-(3-chloroprop-1-enyl)-6-nitro-1H-indazole
CID 169478390
1-(5-nitro-2H-indazol-3-yl)-4-sulfanylbutane-1,2-diol
CID 171874935
sodium;3-chloro-6-nitro-2H-indazole;hydride
CID 174516913
4-(5-nitro-2H-indazol-3-yl)but-3-ynamide
CID 170473867
5-nitro-3-[(2Z,6E)-7-(trifluoromethyl)nona-2,6,8-trienyl]-2H-indazole
CID 142208914

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(5-nitro-2H-indazol-3-yl)prop-2-en-1-amine?
The IUPAC name of N-methyl-3-(5-nitro-2H-indazol-3-yl)prop-2-en-1-amine (CID 169474370) is N-methyl-3-(5-nitro-2H-indazol-3-yl)prop-2-en-1-amine.
What is the SMILES notation for N-methyl-3-(5-nitro-2H-indazol-3-yl)prop-2-en-1-amine?
The canonical SMILES for N-methyl-3-(5-nitro-2H-indazol-3-yl)prop-2-en-1-amine is CNCC=Cc1[nH]nc2ccc([N+](=O)[O-])cc12.
What is the InChIKey of N-methyl-3-(5-nitro-2H-indazol-3-yl)prop-2-en-1-amine?
The InChIKey is DEVGWPQLMBGUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-12-6-2-3-10-9-7-8(15(16)17)4-5-11(9)14-13-10/h2-5,7,12H,6H2,1H3,(H,13,14).
What are the key properties of N-methyl-3-(5-nitro-2H-indazol-3-yl)prop-2-en-1-amine?
N-methyl-3-(5-nitro-2H-indazol-3-yl)prop-2-en-1-amine has a molecular weight of 232.24 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(5-nitro-2H-indazol-3-yl)prop-2-en-1-amine is sourced from PubChem (CID 169474370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).