N-[1-(1H-imidazol-5-yl)ethyl]-1-pyridazin-3-ylpiperidin-4-amine

C14H20N6 — CID 146144942

IUPACN-[1-(1H-imidazol-5-yl)ethyl]-1-pyridazin-3-ylpiperidin-4-amine
SMILESCC(NC1CCN(c2cccnn2)CC1)c1cnc[nH]1
InChIInChI=1S/C14H20N6/c1-11(13-9-15-10-16-13)18-12-4-7-20(8-5-12)14-3-2-6-17-19-14/h2-3,6,9-12,18H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyALKAWRKJDDZPLL-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.52
Rot. Bonds4

About N-[1-(1H-imidazol-5-yl)ethyl]-1-pyridazin-3-ylpiperidin-4-amine

N-[1-(1H-imidazol-5-yl)ethyl]-1-pyridazin-3-ylpiperidin-4-amine (PubChem CID 146144942) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is N-[1-(1H-imidazol-5-yl)ethyl]-1-pyridazin-3-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(1H-imidazol-5-yl)ethyl]-1-pyridazin-3-ylpiperidin-4-amine
PubChem CID146144942
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC NameN-[1-(1H-imidazol-5-yl)ethyl]-1-pyridazin-3-ylpiperidin-4-amine
SMILESCC(NC1CCN(c2cccnn2)CC1)c1cnc[nH]1
InChIInChI=1S/C14H20N6/c1-11(13-9-15-10-16-13)18-12-4-7-20(8-5-12)14-3-2-6-17-19-14/h2-3,6,9-12,18H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyALKAWRKJDDZPLL-UHFFFAOYSA-N
XLogP1.52
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylpiperidin-4-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-6-amine
CID 73346435
N-(1-methylpiperidin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 73353993
3-[1-(3-methylbutyl)pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 73357072
N-[(1-ethylimidazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 56778221
1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine
CID 56778224
N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 56778280
2-Imidazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 56778544
4-(2-Methylimidazol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one
CID 56778551
1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]methanamine
CID 56780941
N-ethyl-N-[[4-(1H-imidazol-2-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 71872607
N-[(1-methylimidazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 72044390
N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 72144192

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazol-5-yl)ethyl]-1-pyridazin-3-ylpiperidin-4-amine?
The IUPAC name of N-[1-(1H-imidazol-5-yl)ethyl]-1-pyridazin-3-ylpiperidin-4-amine (CID 146144942) is N-[1-(1H-imidazol-5-yl)ethyl]-1-pyridazin-3-ylpiperidin-4-amine.
What is the SMILES notation for N-[1-(1H-imidazol-5-yl)ethyl]-1-pyridazin-3-ylpiperidin-4-amine?
The canonical SMILES for N-[1-(1H-imidazol-5-yl)ethyl]-1-pyridazin-3-ylpiperidin-4-amine is CC(NC1CCN(c2cccnn2)CC1)c1cnc[nH]1.
What is the InChIKey of N-[1-(1H-imidazol-5-yl)ethyl]-1-pyridazin-3-ylpiperidin-4-amine?
The InChIKey is ALKAWRKJDDZPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-11(13-9-15-10-16-13)18-12-4-7-20(8-5-12)14-3-2-6-17-19-14/h2-3,6,9-12,18H,4-5,7-8H2,1H3,(H,15,16).
What are the key properties of N-[1-(1H-imidazol-5-yl)ethyl]-1-pyridazin-3-ylpiperidin-4-amine?
N-[1-(1H-imidazol-5-yl)ethyl]-1-pyridazin-3-ylpiperidin-4-amine has a molecular weight of 272.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-imidazol-5-yl)ethyl]-1-pyridazin-3-ylpiperidin-4-amine is sourced from PubChem (CID 146144942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).