1-(1-aminoprop-2-enyl)-5-nitroindazol-3-amine

C10H11N5O2 — CID 70353874

IUPAC1-(1-aminoprop-2-enyl)-5-nitroindazol-3-amine
SMILESC=CC(N)n1nc(N)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C10H11N5O2/c1-2-9(11)14-8-4-3-6(15(16)17)5-7(8)10(12)13-14/h2-5,9H,1,11H2,(H2,12,13)
InChIKeyIZVRUCARWMKTTD-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.17
Rot. Bonds3

About 1-(1-aminoprop-2-enyl)-5-nitroindazol-3-amine

1-(1-aminoprop-2-enyl)-5-nitroindazol-3-amine (PubChem CID 70353874) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-(1-aminoprop-2-enyl)-5-nitroindazol-3-amine.

Molecular Properties

Compound Name1-(1-aminoprop-2-enyl)-5-nitroindazol-3-amine
PubChem CID70353874
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name1-(1-aminoprop-2-enyl)-5-nitroindazol-3-amine
SMILESC=CC(N)n1nc(N)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C10H11N5O2/c1-2-9(11)14-8-4-3-6(15(16)17)5-7(8)10(12)13-14/h2-5,9H,1,11H2,(H2,12,13)
InChIKeyIZVRUCARWMKTTD-UHFFFAOYSA-N
XLogP1.17
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[amino(prop-2-enyl)amino]-5-nitroindazol-1-yl]prop-2-en-1-amine
CID 70353860
3-(5-chlorothiophen-2-yl)-5-nitro-1-propan-2-ylindazole
CID 155672857
1-(3-chloro-5-nitroindazol-1-yl)ethanone
CID 2777625
1-(2-chloro-4-nitrophenyl)prop-2-en-1-amine
CID 130043369
(1S)-1-(2-chloro-5-nitrophenyl)prop-2-en-1-amine
CID 131084690
2-[(1S)-1-aminoprop-2-enyl]-4-nitrophenol
CID 130614433
5-nitro-3-phenylindazol-1-amine
CID 134910169
9-methoxy-3,6-dinitrocarbazole
CID 155908521
3-iodo-5-nitroindazole-1-carboxylic acid
CID 68674037
3,5-dinitro-1-phenylindazole
CID 13221051
2-(3,6-dinitrocarbazol-9-yl)propanoic acid
CID 54237838
9-methyl-6-nitrocarbazole-3-carbaldehyde
CID 23559399

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminoprop-2-enyl)-5-nitroindazol-3-amine?
The IUPAC name of 1-(1-aminoprop-2-enyl)-5-nitroindazol-3-amine (CID 70353874) is 1-(1-aminoprop-2-enyl)-5-nitroindazol-3-amine.
What is the SMILES notation for 1-(1-aminoprop-2-enyl)-5-nitroindazol-3-amine?
The canonical SMILES for 1-(1-aminoprop-2-enyl)-5-nitroindazol-3-amine is C=CC(N)n1nc(N)c2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 1-(1-aminoprop-2-enyl)-5-nitroindazol-3-amine?
The InChIKey is IZVRUCARWMKTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-2-9(11)14-8-4-3-6(15(16)17)5-7(8)10(12)13-14/h2-5,9H,1,11H2,(H2,12,13).
What are the key properties of 1-(1-aminoprop-2-enyl)-5-nitroindazol-3-amine?
1-(1-aminoprop-2-enyl)-5-nitroindazol-3-amine has a molecular weight of 233.23 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoprop-2-enyl)-5-nitroindazol-3-amine is sourced from PubChem (CID 70353874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).