6-(2-nitrophenyl)-N-propylpyridazin-3-amine

C13H14N4O2 — CID 62203904

IUPAC6-(2-nitrophenyl)-N-propylpyridazin-3-amine
SMILESCCCNc1ccc(-c2ccccc2[N+](=O)[O-])nn1
InChIInChI=1S/C13H14N4O2/c1-2-9-14-13-8-7-11(15-16-13)10-5-3-4-6-12(10)17(18)19/h3-8H,2,9H2,1H3,(H,14,16)
InChIKeyUZGJEVJNFUWEQM-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.87
Rot. Bonds5

About 6-(2-nitrophenyl)-N-propylpyridazin-3-amine

6-(2-nitrophenyl)-N-propylpyridazin-3-amine (PubChem CID 62203904) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-(2-nitrophenyl)-N-propylpyridazin-3-amine.

Molecular Properties

Compound Name6-(2-nitrophenyl)-N-propylpyridazin-3-amine
PubChem CID62203904
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name6-(2-nitrophenyl)-N-propylpyridazin-3-amine
SMILESCCCNc1ccc(-c2ccccc2[N+](=O)[O-])nn1
InChIInChI=1S/C13H14N4O2/c1-2-9-14-13-8-7-11(15-16-13)10-5-3-4-6-12(10)17(18)19/h3-8H,2,9H2,1H3,(H,14,16)
InChIKeyUZGJEVJNFUWEQM-UHFFFAOYSA-N
XLogP2.87
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-(2-nitrophenyl)-N-propyl-1,3-thiazol-2-amine
CID 62942170
6-(2-propoxyphenyl)-N-propylpyridazin-3-amine
CID 104663190
3-nitro-2-N-phenyl-6-N-propylpyridine-2,6-diamine
CID 80768548
5-[(2-nitrophenyl)sulfanylmethyl]-N-propylpyrazin-2-amine
CID 103059897
5-nitro-6-phenylmethoxy-N-propylpyridin-2-amine
CID 80845026
N-[[5-(2-nitrophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 79484990
6-butyl-5-nitro-N-propylpyridin-2-amine
CID 106659336
2-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propan-2-ol
CID 80841652
2-N-benzyl-3-nitro-2-N-propan-2-yl-6-N-propylpyridine-2,6-diamine
CID 113258948
6-(2-nitrophenoxy)-N-propylpyrimidin-4-amine
CID 80875228
N-[1-[2-(2-nitrophenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62653753
2-N-ethyl-3-nitro-2-N-propan-2-yl-6-N-propylpyridine-2,6-diamine
CID 80775846

Frequently Asked Questions

What is the IUPAC name of 6-(2-nitrophenyl)-N-propylpyridazin-3-amine?
The IUPAC name of 6-(2-nitrophenyl)-N-propylpyridazin-3-amine (CID 62203904) is 6-(2-nitrophenyl)-N-propylpyridazin-3-amine.
What is the SMILES notation for 6-(2-nitrophenyl)-N-propylpyridazin-3-amine?
The canonical SMILES for 6-(2-nitrophenyl)-N-propylpyridazin-3-amine is CCCNc1ccc(-c2ccccc2[N+](=O)[O-])nn1.
What is the InChIKey of 6-(2-nitrophenyl)-N-propylpyridazin-3-amine?
The InChIKey is UZGJEVJNFUWEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-2-9-14-13-8-7-11(15-16-13)10-5-3-4-6-12(10)17(18)19/h3-8H,2,9H2,1H3,(H,14,16).
What are the key properties of 6-(2-nitrophenyl)-N-propylpyridazin-3-amine?
6-(2-nitrophenyl)-N-propylpyridazin-3-amine has a molecular weight of 258.28 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-nitrophenyl)-N-propylpyridazin-3-amine is sourced from PubChem (CID 62203904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).