N-[[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-2-amine

C14H21N5 — CID 62492116

IUPACN-[[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-n2ccc(C(C)C)n2)nn1
InChIInChI=1S/C14H21N5/c1-10(2)13-7-8-19(18-13)14-6-5-12(16-17-14)9-15-11(3)4/h5-8,10-11,15H,9H2,1-4H3
InChIKeyOBQLPALKOHHXAA-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.28
Rot. Bonds5

About N-[[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-2-amine

N-[[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-2-amine (PubChem CID 62492116) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-[[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-2-amine
PubChem CID62492116
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-[[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-n2ccc(C(C)C)n2)nn1
InChIInChI=1S/C14H21N5/c1-10(2)13-7-8-19(18-13)14-6-5-12(16-17-14)9-15-11(3)4/h5-8,10-11,15H,9H2,1-4H3
InChIKeyOBQLPALKOHHXAA-UHFFFAOYSA-N
XLogP2.28
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methanamine
CID 62491947
N-[[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine
CID 62492287
N-[[6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62491762
N-[[2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine
CID 62487799
N-[[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine
CID 63078057
N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-2-amine
CID 62284394
N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine
CID 62489855
N-[[3-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 105390657
N-[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]methyl]propan-2-amine
CID 104960875
N-methyl-1-[6-(3-propan-2-ylpyrazol-1-yl)pyrazin-2-yl]methanamine
CID 66450168
N-[[5-chloro-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62490052
N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]methyl]propan-2-amine
CID 62285310

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-2-amine (CID 62492116) is N-[[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-2-amine is CC(C)NCc1ccc(-n2ccc(C(C)C)n2)nn1.
What is the InChIKey of N-[[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-2-amine?
The InChIKey is OBQLPALKOHHXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-10(2)13-7-8-19(18-13)14-6-5-12(16-17-14)9-15-11(3)4/h5-8,10-11,15H,9H2,1-4H3.
What are the key properties of N-[[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-2-amine?
N-[[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-2-amine has a molecular weight of 259.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62492116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).