4-(1H-imidazol-2-yl)-N-phenylpyridazin-3-amine

C13H11N5 — CID 174598348

IUPAC4-(1H-imidazol-2-yl)-N-phenylpyridazin-3-amine
SMILESc1ccc(Nc2nnccc2-c2ncc[nH]2)cc1
InChIInChI=1S/C13H11N5/c1-2-4-10(5-3-1)17-13-11(6-7-16-18-13)12-14-8-9-15-12/h1-9H,(H,14,15)(H,17,18)
InChIKeyKXUWWBHBDASZHY-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.61
Rot. Bonds3

About 4-(1H-imidazol-2-yl)-N-phenylpyridazin-3-amine

4-(1H-imidazol-2-yl)-N-phenylpyridazin-3-amine (PubChem CID 174598348) has the molecular formula C13H11N5 and a molecular weight of 237.27 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)-N-phenylpyridazin-3-amine.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)-N-phenylpyridazin-3-amine
PubChem CID174598348
Molecular FormulaC13H11N5
Molecular Weight237.27 g/mol
Exact Mass237.10
IUPAC Name4-(1H-imidazol-2-yl)-N-phenylpyridazin-3-amine
SMILESc1ccc(Nc2nnccc2-c2ncc[nH]2)cc1
InChIInChI=1S/C13H11N5/c1-2-4-10(5-3-1)17-13-11(6-7-16-18-13)12-14-8-9-15-12/h1-9H,(H,14,15)(H,17,18)
InChIKeyKXUWWBHBDASZHY-UHFFFAOYSA-N
XLogP2.61
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-imidazol-2-yl)-5-methyl-N-phenylaniline
CID 155100435
1-[[2-(1H-imidazol-2-yl)phenyl]methyl]-2-phenylhydrazine
CID 169387021
2-(1H-imidazol-2-yl)phenolate
CID 132599402
ethane;2-phenyl-1H-imidazole
CID 142210082
2-N,3-N-diphenylpyridine-2,3-diamine
CID 161485713
5-N,6-N-diphenyltetrazine-5,6-diamine
CID 166773388
4-(1H-imidazol-2-yl)-2,3-dipyridin-2-ylpyridine
CID 123457191
2-(1H-imidazol-2-yl)benzamide;hydrate
CID 140783933
[2-(1H-imidazol-2-yl)phenyl]methanol
CID 54081876
2-(1H-imidazol-2-yl)-6-phenylpyridine
CID 76900195
N-[1-(1H-imidazol-2-yl)prop-2-enyl]aniline
CID 70576134
2-[2-(4-methoxyphenyl)phenyl]-1H-imidazole
CID 11736810

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-yl)-N-phenylpyridazin-3-amine?
The IUPAC name of 4-(1H-imidazol-2-yl)-N-phenylpyridazin-3-amine (CID 174598348) is 4-(1H-imidazol-2-yl)-N-phenylpyridazin-3-amine.
What is the SMILES notation for 4-(1H-imidazol-2-yl)-N-phenylpyridazin-3-amine?
The canonical SMILES for 4-(1H-imidazol-2-yl)-N-phenylpyridazin-3-amine is c1ccc(Nc2nnccc2-c2ncc[nH]2)cc1.
What is the InChIKey of 4-(1H-imidazol-2-yl)-N-phenylpyridazin-3-amine?
The InChIKey is KXUWWBHBDASZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5/c1-2-4-10(5-3-1)17-13-11(6-7-16-18-13)12-14-8-9-15-12/h1-9H,(H,14,15)(H,17,18).
What are the key properties of 4-(1H-imidazol-2-yl)-N-phenylpyridazin-3-amine?
4-(1H-imidazol-2-yl)-N-phenylpyridazin-3-amine has a molecular weight of 237.27 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yl)-N-phenylpyridazin-3-amine is sourced from PubChem (CID 174598348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).