N-[(3,6-dimethylpyridazin-4-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine

C16H25N5 — CID 105104037

IUPACN-[(3,6-dimethylpyridazin-4-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(CCC)c1)c1cc(C)nnc1C
InChIInChI=1S/C16H25N5/c1-5-7-17-16(14-10-18-21(11-14)8-6-2)15-9-12(3)19-20-13(15)4/h9-11,16-17H,5-8H2,1-4H3
InChIKeyZUPUETDFPJPOCN-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.79
Rot. Bonds7

About N-[(3,6-dimethylpyridazin-4-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine

N-[(3,6-dimethylpyridazin-4-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 105104037) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[(3,6-dimethylpyridazin-4-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,6-dimethylpyridazin-4-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID105104037
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN-[(3,6-dimethylpyridazin-4-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(CCC)c1)c1cc(C)nnc1C
InChIInChI=1S/C16H25N5/c1-5-7-17-16(14-10-18-21(11-14)8-6-2)15-9-12(3)19-20-13(15)4/h9-11,16-17H,5-8H2,1-4H3
InChIKeyZUPUETDFPJPOCN-UHFFFAOYSA-N
XLogP2.79
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3,6-dimethylpyridazin-4-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288605
N-[(3,6-dimethylpyridazin-4-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 105119145
N-[(3,6-dimethylpyridazin-4-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105148759
N-[(3-chloro-2-methylphenyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 107102084
N-[(3,6-dimethylpyridazin-4-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 105095516
N-[(2-bromo-5-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 115808137
N-[(5-methylfuran-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 115807959
N-[(3,6-dimethylpyridazin-4-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 105143076
N-[(3,6-dimethylpyridazin-4-yl)-(3-fluorophenyl)methyl]propan-1-amine
CID 105093062
N-[(3-chlorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]propan-1-amine
CID 105106643
N-[(3-methoxy-4-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 105065275
1-(2,6-dimethyl-4-pyridinyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 107503527

Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dimethylpyridazin-4-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,6-dimethylpyridazin-4-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine (CID 105104037) is N-[(3,6-dimethylpyridazin-4-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,6-dimethylpyridazin-4-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,6-dimethylpyridazin-4-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine is CCCNC(c1cnn(CCC)c1)c1cc(C)nnc1C.
What is the InChIKey of N-[(3,6-dimethylpyridazin-4-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is ZUPUETDFPJPOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-5-7-17-16(14-10-18-21(11-14)8-6-2)15-9-12(3)19-20-13(15)4/h9-11,16-17H,5-8H2,1-4H3.
What are the key properties of N-[(3,6-dimethylpyridazin-4-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine?
N-[(3,6-dimethylpyridazin-4-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dimethylpyridazin-4-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 105104037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).