5-[6-[[4-(3H-azepin-5-yl)piperazin-1-yl]methyl]-4,5-dihydropyridazin-4-yl]-N-methyl-N-prop-1-enylpent-1-en-2-amine

C24H36N6 — CID 123747328

IUPAC5-[6-[[4-(3H-azepin-5-yl)piperazin-1-yl]methyl]-4,5-dihydropyridazin-4-yl]-N-methyl-N-prop-1-enylpent-1-en-2-amine
SMILESC=C(CCCC1C=NN=C(CN2CCN(C3=CCC=NC=C3)CC2)C1)N(C)C=CC
InChIInChI=1S/C24H36N6/c1-4-13-28(3)21(2)7-5-8-22-18-23(27-26-19-22)20-29-14-16-30(17-15-29)24-9-6-11-25-12-10-24/h4,9-13,19,22H,2,5-8,14-18,20H2,1,3H3
InChIKeyYTNRHLXTTSRJNG-UHFFFAOYSA-N
MW408.59 g/mol
LogP4.07
Rot. Bonds9

About 5-[6-[[4-(3H-azepin-5-yl)piperazin-1-yl]methyl]-4,5-dihydropyridazin-4-yl]-N-methyl-N-prop-1-enylpent-1-en-2-amine

5-[6-[[4-(3H-azepin-5-yl)piperazin-1-yl]methyl]-4,5-dihydropyridazin-4-yl]-N-methyl-N-prop-1-enylpent-1-en-2-amine (PubChem CID 123747328) has the molecular formula C24H36N6 and a molecular weight of 408.59 g/mol. Its IUPAC name is 5-[6-[[4-(3H-azepin-5-yl)piperazin-1-yl]methyl]-4,5-dihydropyridazin-4-yl]-N-methyl-N-prop-1-enylpent-1-en-2-amine.

Molecular Properties

Compound Name5-[6-[[4-(3H-azepin-5-yl)piperazin-1-yl]methyl]-4,5-dihydropyridazin-4-yl]-N-methyl-N-prop-1-enylpent-1-en-2-amine
PubChem CID123747328
Molecular FormulaC24H36N6
Molecular Weight408.59 g/mol
Exact Mass408.30
IUPAC Name5-[6-[[4-(3H-azepin-5-yl)piperazin-1-yl]methyl]-4,5-dihydropyridazin-4-yl]-N-methyl-N-prop-1-enylpent-1-en-2-amine
SMILESC=C(CCCC1C=NN=C(CN2CCN(C3=CCC=NC=C3)CC2)C1)N(C)C=CC
InChIInChI=1S/C24H36N6/c1-4-13-28(3)21(2)7-5-8-22-18-23(27-26-19-22)20-29-14-16-30(17-15-29)24-9-6-11-25-12-10-24/h4,9-13,19,22H,2,5-8,14-18,20H2,1,3H3
InChIKeyYTNRHLXTTSRJNG-UHFFFAOYSA-N
XLogP4.07
TPSA46.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[6-[[4-(3H-azepin-5-yl)piperazin-1-yl]methyl]-4,5-dihydropyridazin-4-yl]-N-methyl-N-prop-1-enylpent-1-en-2-amine with MolForge

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Related Compounds

N-[(1Z)-1-[1-(4-cyclohexylbutyl)-2-methylidene-4H-pyridin-3-ylidene]propyl]ethanimine;methane
CID 143699563
N-[(1Z)-1-[1-(4-cyclohexylbutyl)-2-methylidene-4H-pyridin-3-ylidene]propyl]ethanimine
CID 143699564

Frequently Asked Questions

What is the IUPAC name of 5-[6-[[4-(3H-azepin-5-yl)piperazin-1-yl]methyl]-4,5-dihydropyridazin-4-yl]-N-methyl-N-prop-1-enylpent-1-en-2-amine?
The IUPAC name of 5-[6-[[4-(3H-azepin-5-yl)piperazin-1-yl]methyl]-4,5-dihydropyridazin-4-yl]-N-methyl-N-prop-1-enylpent-1-en-2-amine (CID 123747328) is 5-[6-[[4-(3H-azepin-5-yl)piperazin-1-yl]methyl]-4,5-dihydropyridazin-4-yl]-N-methyl-N-prop-1-enylpent-1-en-2-amine.
What is the SMILES notation for 5-[6-[[4-(3H-azepin-5-yl)piperazin-1-yl]methyl]-4,5-dihydropyridazin-4-yl]-N-methyl-N-prop-1-enylpent-1-en-2-amine?
The canonical SMILES for 5-[6-[[4-(3H-azepin-5-yl)piperazin-1-yl]methyl]-4,5-dihydropyridazin-4-yl]-N-methyl-N-prop-1-enylpent-1-en-2-amine is C=C(CCCC1C=NN=C(CN2CCN(C3=CCC=NC=C3)CC2)C1)N(C)C=CC.
What is the InChIKey of 5-[6-[[4-(3H-azepin-5-yl)piperazin-1-yl]methyl]-4,5-dihydropyridazin-4-yl]-N-methyl-N-prop-1-enylpent-1-en-2-amine?
The InChIKey is YTNRHLXTTSRJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6/c1-4-13-28(3)21(2)7-5-8-22-18-23(27-26-19-22)20-29-14-16-30(17-15-29)24-9-6-11-25-12-10-24/h4,9-13,19,22H,2,5-8,14-18,20H2,1,3H3.
What are the key properties of 5-[6-[[4-(3H-azepin-5-yl)piperazin-1-yl]methyl]-4,5-dihydropyridazin-4-yl]-N-methyl-N-prop-1-enylpent-1-en-2-amine?
5-[6-[[4-(3H-azepin-5-yl)piperazin-1-yl]methyl]-4,5-dihydropyridazin-4-yl]-N-methyl-N-prop-1-enylpent-1-en-2-amine has a molecular weight of 408.59 g/mol, XLogP of 4.07, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[[4-(3H-azepin-5-yl)piperazin-1-yl]methyl]-4,5-dihydropyridazin-4-yl]-N-methyl-N-prop-1-enylpent-1-en-2-amine is sourced from PubChem (CID 123747328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).