N-[3-(3-aminopropyl)phenyl]-5-methylpyridazin-3-amine

C14H18N4 — CID 106550800

IUPACN-[3-(3-aminopropyl)phenyl]-5-methylpyridazin-3-amine
SMILESCc1cnnc(Nc2cccc(CCCN)c2)c1
InChIInChI=1S/C14H18N4/c1-11-8-14(18-16-10-11)17-13-6-2-4-12(9-13)5-3-7-15/h2,4,6,8-10H,3,5,7,15H2,1H3,(H,17,18)
InChIKeyDVUUWDSNBRMWDJ-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.42
Rot. Bonds5

About N-[3-(3-aminopropyl)phenyl]-5-methylpyridazin-3-amine

N-[3-(3-aminopropyl)phenyl]-5-methylpyridazin-3-amine (PubChem CID 106550800) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-[3-(3-aminopropyl)phenyl]-5-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-[3-(3-aminopropyl)phenyl]-5-methylpyridazin-3-amine
PubChem CID106550800
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-[3-(3-aminopropyl)phenyl]-5-methylpyridazin-3-amine
SMILESCc1cnnc(Nc2cccc(CCCN)c2)c1
InChIInChI=1S/C14H18N4/c1-11-8-14(18-16-10-11)17-13-6-2-4-12(9-13)5-3-7-15/h2,4,6,8-10H,3,5,7,15H2,1H3,(H,17,18)
InChIKeyDVUUWDSNBRMWDJ-UHFFFAOYSA-N
XLogP2.42
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(3-aminopropyl)phenyl]-5-methylpyridazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methylphenyl)propan-1-amine
CID 12666388
N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
CID 106549356
N'-(5-methylpyridazin-3-yl)hexane-1,6-diamine
CID 107845062
N'-(5-methylpyridazin-3-yl)pentane-1,5-diamine
CID 107323443
N-[3-(aminomethyl)-4-ethoxyphenyl]-5-methylpyridazin-3-amine
CID 106550771
N-[3-(3-aminopropyl)phenyl]-3-chloropyridin-2-amine
CID 113397967
3-bromo-N-[3-(3-chloropropyl)phenyl]-5-methylpyridin-2-amine
CID 105368776
N-[3-(aminomethyl)phenyl]-2,6-dimethylpyrimidin-4-amine
CID 63767610
1-[3-(3-aminopropyl)phenyl]-3-methylurea
CID 89494810
ethane;4-(3-methylphenyl)butan-1-amine
CID 142116258
N-[3-(aminomethyl)phenyl]-6-methoxy-4-methylpyridin-2-amine;methane
CID 157374019
N-[3-(aminomethyl)phenyl]cinnolin-4-amine
CID 63767613

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminopropyl)phenyl]-5-methylpyridazin-3-amine?
The IUPAC name of N-[3-(3-aminopropyl)phenyl]-5-methylpyridazin-3-amine (CID 106550800) is N-[3-(3-aminopropyl)phenyl]-5-methylpyridazin-3-amine.
What is the SMILES notation for N-[3-(3-aminopropyl)phenyl]-5-methylpyridazin-3-amine?
The canonical SMILES for N-[3-(3-aminopropyl)phenyl]-5-methylpyridazin-3-amine is Cc1cnnc(Nc2cccc(CCCN)c2)c1.
What is the InChIKey of N-[3-(3-aminopropyl)phenyl]-5-methylpyridazin-3-amine?
The InChIKey is DVUUWDSNBRMWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-11-8-14(18-16-10-11)17-13-6-2-4-12(9-13)5-3-7-15/h2,4,6,8-10H,3,5,7,15H2,1H3,(H,17,18).
What are the key properties of N-[3-(3-aminopropyl)phenyl]-5-methylpyridazin-3-amine?
N-[3-(3-aminopropyl)phenyl]-5-methylpyridazin-3-amine has a molecular weight of 242.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminopropyl)phenyl]-5-methylpyridazin-3-amine is sourced from PubChem (CID 106550800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).