N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-6-methyl-5-phenylpyridazin-3-amine

C19H24N4 — CID 19027718

IUPACN-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-6-methyl-5-phenylpyridazin-3-amine
SMILESCc1nnc(NCC23CCCN2CCC3)cc1-c1ccccc1
InChIInChI=1S/C19H24N4/c1-15-17(16-7-3-2-4-8-16)13-18(22-21-15)20-14-19-9-5-11-23(19)12-6-10-19/h2-4,7-8,13H,5-6,9-12,14H2,1H3,(H,20,22)
InChIKeyKBXAJECYKCDHRY-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.49
Rot. Bonds4

About N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-6-methyl-5-phenylpyridazin-3-amine

N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-6-methyl-5-phenylpyridazin-3-amine (PubChem CID 19027718) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-6-methyl-5-phenylpyridazin-3-amine.

Molecular Properties

Compound NameN-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-6-methyl-5-phenylpyridazin-3-amine
PubChem CID19027718
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC NameN-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-6-methyl-5-phenylpyridazin-3-amine
SMILESCc1nnc(NCC23CCCN2CCC3)cc1-c1ccccc1
InChIInChI=1S/C19H24N4/c1-15-17(16-7-3-2-4-8-16)13-18(22-21-15)20-14-19-9-5-11-23(19)12-6-10-19/h2-4,7-8,13H,5-6,9-12,14H2,1H3,(H,20,22)
InChIKeyKBXAJECYKCDHRY-UHFFFAOYSA-N
XLogP3.49
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-6-methyl-5-phenylpyridazin-3-amine?
The IUPAC name of N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-6-methyl-5-phenylpyridazin-3-amine (CID 19027718) is N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-6-methyl-5-phenylpyridazin-3-amine.
What is the SMILES notation for N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-6-methyl-5-phenylpyridazin-3-amine?
The canonical SMILES for N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-6-methyl-5-phenylpyridazin-3-amine is Cc1nnc(NCC23CCCN2CCC3)cc1-c1ccccc1.
What is the InChIKey of N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-6-methyl-5-phenylpyridazin-3-amine?
The InChIKey is KBXAJECYKCDHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4/c1-15-17(16-7-3-2-4-8-16)13-18(22-21-15)20-14-19-9-5-11-23(19)12-6-10-19/h2-4,7-8,13H,5-6,9-12,14H2,1H3,(H,20,22).
What are the key properties of N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-6-methyl-5-phenylpyridazin-3-amine?
N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-6-methyl-5-phenylpyridazin-3-amine has a molecular weight of 308.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-6-methyl-5-phenylpyridazin-3-amine is sourced from PubChem (CID 19027718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).