1-(1-propylpyrrol-3-yl)-N-(pyridazin-3-ylmethyl)methanamine

C13H18N4 — CID 106833951

IUPAC1-(1-propylpyrrol-3-yl)-N-(pyridazin-3-ylmethyl)methanamine
SMILESCCCn1ccc(CNCc2cccnn2)c1
InChIInChI=1S/C13H18N4/c1-2-7-17-8-5-12(11-17)9-14-10-13-4-3-6-15-16-13/h3-6,8,11,14H,2,7,9-10H2,1H3
InChIKeyJLMPLMOTYNVYFT-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.98
Rot. Bonds6

About 1-(1-propylpyrrol-3-yl)-N-(pyridazin-3-ylmethyl)methanamine

1-(1-propylpyrrol-3-yl)-N-(pyridazin-3-ylmethyl)methanamine (PubChem CID 106833951) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(1-propylpyrrol-3-yl)-N-(pyridazin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-propylpyrrol-3-yl)-N-(pyridazin-3-ylmethyl)methanamine
PubChem CID106833951
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name1-(1-propylpyrrol-3-yl)-N-(pyridazin-3-ylmethyl)methanamine
SMILESCCCn1ccc(CNCc2cccnn2)c1
InChIInChI=1S/C13H18N4/c1-2-7-17-8-5-12(11-17)9-14-10-13-4-3-6-15-16-13/h3-6,8,11,14H,2,7,9-10H2,1H3
InChIKeyJLMPLMOTYNVYFT-UHFFFAOYSA-N
XLogP1.98
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-propylimidazol-2-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895060
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 103527603
1-(4-bromophenyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66399030
2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine
CID 66416750
1-(1-propylpyrrol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 79236414
[4-[(pyridazin-3-ylmethylamino)methyl]phenyl]methanol
CID 106895571
3-[(1-propylpyrrol-3-yl)methylamino]propanenitrile
CID 66399043
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895919
1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol
CID 66398623
N-[(5-methylfuran-2-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 66414995
N-[(1-ethylimidazol-2-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106834150
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 66414575

Frequently Asked Questions

What is the IUPAC name of 1-(1-propylpyrrol-3-yl)-N-(pyridazin-3-ylmethyl)methanamine?
The IUPAC name of 1-(1-propylpyrrol-3-yl)-N-(pyridazin-3-ylmethyl)methanamine (CID 106833951) is 1-(1-propylpyrrol-3-yl)-N-(pyridazin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-propylpyrrol-3-yl)-N-(pyridazin-3-ylmethyl)methanamine?
The canonical SMILES for 1-(1-propylpyrrol-3-yl)-N-(pyridazin-3-ylmethyl)methanamine is CCCn1ccc(CNCc2cccnn2)c1.
What is the InChIKey of 1-(1-propylpyrrol-3-yl)-N-(pyridazin-3-ylmethyl)methanamine?
The InChIKey is JLMPLMOTYNVYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-2-7-17-8-5-12(11-17)9-14-10-13-4-3-6-15-16-13/h3-6,8,11,14H,2,7,9-10H2,1H3.
What are the key properties of 1-(1-propylpyrrol-3-yl)-N-(pyridazin-3-ylmethyl)methanamine?
1-(1-propylpyrrol-3-yl)-N-(pyridazin-3-ylmethyl)methanamine has a molecular weight of 230.31 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylpyrrol-3-yl)-N-(pyridazin-3-ylmethyl)methanamine is sourced from PubChem (CID 106833951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).