3-cyclopropyl-N-[4-(1,2,4-triazol-4-yl)butyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C14H18N8 — CID 133325363

IUPAC3-cyclopropyl-N-[4-(1,2,4-triazol-4-yl)butyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESc1cc2nnc(C3CC3)n2nc1NCCCCn1cnnc1
InChIInChI=1S/C14H18N8/c1(2-8-21-9-16-17-10-21)7-15-12-5-6-13-18-19-14(11-3-4-11)22(13)20-12/h5-6,9-11H,1-4,7-8H2,(H,15,20)
InChIKeyPGNCXIKLESGQIL-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.49
Rot. Bonds7

About 3-cyclopropyl-N-[4-(1,2,4-triazol-4-yl)butyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-cyclopropyl-N-[4-(1,2,4-triazol-4-yl)butyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133325363) has the molecular formula C14H18N8 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-cyclopropyl-N-[4-(1,2,4-triazol-4-yl)butyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[4-(1,2,4-triazol-4-yl)butyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133325363
Molecular FormulaC14H18N8
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name3-cyclopropyl-N-[4-(1,2,4-triazol-4-yl)butyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESc1cc2nnc(C3CC3)n2nc1NCCCCn1cnnc1
InChIInChI=1S/C14H18N8/c1(2-8-21-9-16-17-10-21)7-15-12-5-6-13-18-19-14(11-3-4-11)22(13)20-12/h5-6,9-11H,1-4,7-8H2,(H,15,20)
InChIKeyPGNCXIKLESGQIL-UHFFFAOYSA-N
XLogP1.49
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-cyclopropyl-N-[4-(1,2,4-triazol-4-yl)butyl]-[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

3-cyclopropyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133458949
3-(4-fluorophenyl)-N-[3-(1,2,4-triazol-4-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 167974477
3-cyclopropyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133294997
N-[2-(2-bromo-5-chlorophenyl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133387538
3-cyclopropyl-N-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133383342
1-[(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 71977966
3-cyclopropyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133296676
3-cyclopropyl-N-[(4-cyclopropylmorpholin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133295114
3-cyclopropyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133445550
3-cyclopropyl-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133294585
3-cyclopropyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133295175
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 60520890

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[4-(1,2,4-triazol-4-yl)butyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-cyclopropyl-N-[4-(1,2,4-triazol-4-yl)butyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133325363) is 3-cyclopropyl-N-[4-(1,2,4-triazol-4-yl)butyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-cyclopropyl-N-[4-(1,2,4-triazol-4-yl)butyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-cyclopropyl-N-[4-(1,2,4-triazol-4-yl)butyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is c1cc2nnc(C3CC3)n2nc1NCCCCn1cnnc1.
What is the InChIKey of 3-cyclopropyl-N-[4-(1,2,4-triazol-4-yl)butyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is PGNCXIKLESGQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8/c1(2-8-21-9-16-17-10-21)7-15-12-5-6-13-18-19-14(11-3-4-11)22(13)20-12/h5-6,9-11H,1-4,7-8H2,(H,15,20).
What are the key properties of 3-cyclopropyl-N-[4-(1,2,4-triazol-4-yl)butyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-cyclopropyl-N-[4-(1,2,4-triazol-4-yl)butyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 298.35 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[4-(1,2,4-triazol-4-yl)butyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133325363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).