6-chloro-4,5-dimethyl-N-(3-phenylpropyl)pyridazin-3-amine

C15H18ClN3 — CID 63271631

IUPAC6-chloro-4,5-dimethyl-N-(3-phenylpropyl)pyridazin-3-amine
SMILESCc1c(Cl)nnc(NCCCc2ccccc2)c1C
InChIInChI=1S/C15H18ClN3/c1-11-12(2)15(19-18-14(11)16)17-10-6-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-10H2,1-2H3,(H,17,19)
InChIKeyOPFVZXDNUFCWOL-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.79
Rot. Bonds5

About 6-chloro-4,5-dimethyl-N-(3-phenylpropyl)pyridazin-3-amine

6-chloro-4,5-dimethyl-N-(3-phenylpropyl)pyridazin-3-amine (PubChem CID 63271631) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 6-chloro-4,5-dimethyl-N-(3-phenylpropyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-4,5-dimethyl-N-(3-phenylpropyl)pyridazin-3-amine
PubChem CID63271631
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name6-chloro-4,5-dimethyl-N-(3-phenylpropyl)pyridazin-3-amine
SMILESCc1c(Cl)nnc(NCCCc2ccccc2)c1C
InChIInChI=1S/C15H18ClN3/c1-11-12(2)15(19-18-14(11)16)17-10-6-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-10H2,1-2H3,(H,17,19)
InChIKeyOPFVZXDNUFCWOL-UHFFFAOYSA-N
XLogP3.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-6-chloro-4,5-dimethylpyridazin-3-amine
CID 63271969
6-chloro-4,5-dimethyl-N-(2-phenoxyethyl)pyridazin-3-amine
CID 63271688
6-chloro-4,5-dimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine
CID 63271585
4-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]butanamide
CID 63271549
6-N,5-dimethyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 80790674
2-[[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]methyl]phenol
CID 106196541
2-chloro-4-methyl-N-(3-phenylpropyl)pyridin-3-amine
CID 65485111
6-chloro-N-[(3-methoxyphenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 63271766
6-chloro-4,5-dimethyl-N-[(E)-pent-3-enyl]pyridazin-3-amine
CID 106195870
6-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 106900542
6-methyl-2-N-(3-phenylpropyl)pyridine-2,3-diamine
CID 81133138
2-ethyl-5-methyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 80986988

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4,5-dimethyl-N-(3-phenylpropyl)pyridazin-3-amine?
The IUPAC name of 6-chloro-4,5-dimethyl-N-(3-phenylpropyl)pyridazin-3-amine (CID 63271631) is 6-chloro-4,5-dimethyl-N-(3-phenylpropyl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-4,5-dimethyl-N-(3-phenylpropyl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-4,5-dimethyl-N-(3-phenylpropyl)pyridazin-3-amine is Cc1c(Cl)nnc(NCCCc2ccccc2)c1C.
What is the InChIKey of 6-chloro-4,5-dimethyl-N-(3-phenylpropyl)pyridazin-3-amine?
The InChIKey is OPFVZXDNUFCWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-11-12(2)15(19-18-14(11)16)17-10-6-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-10H2,1-2H3,(H,17,19).
What are the key properties of 6-chloro-4,5-dimethyl-N-(3-phenylpropyl)pyridazin-3-amine?
6-chloro-4,5-dimethyl-N-(3-phenylpropyl)pyridazin-3-amine has a molecular weight of 275.78 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4,5-dimethyl-N-(3-phenylpropyl)pyridazin-3-amine is sourced from PubChem (CID 63271631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).