N-(3-methylsulfanylpropyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C15H17N5S — CID 133304991

IUPACN-(3-methylsulfanylpropyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCSCCCNc1ccc2nnc(-c3ccccc3)n2n1
InChIInChI=1S/C15H17N5S/c1-21-11-5-10-16-13-8-9-14-17-18-15(20(14)19-13)12-6-3-2-4-7-12/h2-4,6-9H,5,10-11H2,1H3,(H,16,19)
InChIKeyDZRBVBBPRKATRH-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.96
Rot. Bonds6

About N-(3-methylsulfanylpropyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-(3-methylsulfanylpropyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133304991) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133304991
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC NameN-(3-methylsulfanylpropyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCSCCCNc1ccc2nnc(-c3ccccc3)n2n1
InChIInChI=1S/C15H17N5S/c1-21-11-5-10-16-13-8-9-14-17-18-15(20(14)19-13)12-6-3-2-4-7-12/h2-4,6-9H,5,10-11H2,1H3,(H,16,19)
InChIKeyDZRBVBBPRKATRH-UHFFFAOYSA-N
XLogP2.96
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(3-methylsulfanylpropyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-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

4-[3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propyl]-1,4-benzoxazin-3-one
CID 133330686
3-(4-fluorophenyl)-N-[3-(1,2,4-triazol-4-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 167974477
tert-butyl N-[(E)-4-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]but-2-enyl]carbamate
CID 86815345
N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 71996278
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133399621
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 95160951
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 95160952
N-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 167878418
3-phenyl-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 47983521
N-[(1-ethylsulfonylpyrrolidin-2-yl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 166296830
1-[[2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]phenyl]methyl]piperidin-4-ol
CID 133326416
2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 133335614

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylpropyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-(3-methylsulfanylpropyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133304991) is N-(3-methylsulfanylpropyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-(3-methylsulfanylpropyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-(3-methylsulfanylpropyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CSCCCNc1ccc2nnc(-c3ccccc3)n2n1.
What is the InChIKey of N-(3-methylsulfanylpropyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is DZRBVBBPRKATRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-21-11-5-10-16-13-8-9-14-17-18-15(20(14)19-13)12-6-3-2-4-7-12/h2-4,6-9H,5,10-11H2,1H3,(H,16,19).
What are the key properties of N-(3-methylsulfanylpropyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-(3-methylsulfanylpropyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 299.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133304991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).