3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carboximidamide

C10H11BrN6 — CID 61090116

IUPAC3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(-n2cc(Br)cn2)nnc(C)c1C
InChIInChI=1S/C10H11BrN6/c1-5-6(2)15-16-10(8(5)9(12)13)17-4-7(11)3-14-17/h3-4H,1-2H3,(H3,12,13)
InChIKeySIEBYPGPQSIBGM-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.33
Rot. Bonds2

About 3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carboximidamide

3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carboximidamide (PubChem CID 61090116) has the molecular formula C10H11BrN6 and a molecular weight of 295.14 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
PubChem CID61090116
Molecular FormulaC10H11BrN6
Molecular Weight295.14 g/mol
Exact Mass294.02
IUPAC Name3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(-n2cc(Br)cn2)nnc(C)c1C
InChIInChI=1S/C10H11BrN6/c1-5-6(2)15-16-10(8(5)9(12)13)17-4-7(11)3-14-17/h3-4H,1-2H3,(H3,12,13)
InChIKeySIEBYPGPQSIBGM-UHFFFAOYSA-N
XLogP1.33
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 61096462
3-(azepan-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 61096668
2-(4-bromopyrazol-1-yl)-3-methylbenzenecarboximidamide
CID 107110480
3-(4-chloropyrazol-1-yl)-5,6-dimethylpyridazine-4-carbothioamide
CID 61098476
3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 103534108
3-(3,4-dimethylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 55216184
3-(4-butan-2-ylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 62773452
3-(4-tert-butylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 62089530
2-(4-bromopyrazol-1-yl)-4-methoxybenzenecarboximidamide
CID 81303223
3-(4-ethyl-4-methylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 63160762
4-(4-bromopyrazol-1-yl)-2-chlorobenzenecarboximidamide
CID 62948544
5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carboximidamide
CID 114593496

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carboximidamide?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carboximidamide (CID 61090116) is 3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carboximidamide?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carboximidamide is [H]/N=C(\N)c1c(-n2cc(Br)cn2)nnc(C)c1C.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carboximidamide?
The InChIKey is SIEBYPGPQSIBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN6/c1-5-6(2)15-16-10(8(5)9(12)13)17-4-7(11)3-14-17/h3-4H,1-2H3,(H3,12,13).
What are the key properties of 3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carboximidamide?
3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carboximidamide has a molecular weight of 295.14 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carboximidamide is sourced from PubChem (CID 61090116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).