N-methyl-1-pyridazin-3-ylpiperidin-4-amine

C10H16N4 — CID 54594801

IUPACN-methyl-1-pyridazin-3-ylpiperidin-4-amine
SMILESCNC1CCN(c2cccnn2)CC1
InChIInChI=1S/C10H16N4/c1-11-9-4-7-14(8-5-9)10-3-2-6-12-13-10/h2-3,6,9,11H,4-5,7-8H2,1H3
InChIKeyDEMPYJPTIIPUNY-UHFFFAOYSA-N
MW192.27 g/mol
LogP0.66
Rot. Bonds2

About N-methyl-1-pyridazin-3-ylpiperidin-4-amine

N-methyl-1-pyridazin-3-ylpiperidin-4-amine (PubChem CID 54594801) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is N-methyl-1-pyridazin-3-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-pyridazin-3-ylpiperidin-4-amine
PubChem CID54594801
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC NameN-methyl-1-pyridazin-3-ylpiperidin-4-amine
SMILESCNC1CCN(c2cccnn2)CC1
InChIInChI=1S/C10H16N4/c1-11-9-4-7-14(8-5-9)10-3-2-6-12-13-10/h2-3,6,9,11H,4-5,7-8H2,1H3
InChIKeyDEMPYJPTIIPUNY-UHFFFAOYSA-N
XLogP0.66
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyridazin-3-ylpiperidin-4-amine?
The IUPAC name of N-methyl-1-pyridazin-3-ylpiperidin-4-amine (CID 54594801) is N-methyl-1-pyridazin-3-ylpiperidin-4-amine.
What is the SMILES notation for N-methyl-1-pyridazin-3-ylpiperidin-4-amine?
The canonical SMILES for N-methyl-1-pyridazin-3-ylpiperidin-4-amine is CNC1CCN(c2cccnn2)CC1.
What is the InChIKey of N-methyl-1-pyridazin-3-ylpiperidin-4-amine?
The InChIKey is DEMPYJPTIIPUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-11-9-4-7-14(8-5-9)10-3-2-6-12-13-10/h2-3,6,9,11H,4-5,7-8H2,1H3.
What are the key properties of N-methyl-1-pyridazin-3-ylpiperidin-4-amine?
N-methyl-1-pyridazin-3-ylpiperidin-4-amine has a molecular weight of 192.27 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyridazin-3-ylpiperidin-4-amine is sourced from PubChem (CID 54594801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).