N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C15H18N8 — CID 91650469

IUPACN-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc2ccc(NCc3nnc(C4CC4)n3C3CC3)nn12
InChIInChI=1S/C15H18N8/c1-9-17-18-13-7-6-12(21-23(9)13)16-8-14-19-20-15(10-2-3-10)22(14)11-4-5-11/h6-7,10-11H,2-5,8H2,1H3,(H,16,21)
InChIKeyQVRONODYHUQCME-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.85
Rot. Bonds5

About N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 91650469) has the molecular formula C15H18N8 and a molecular weight of 310.37 g/mol. Its IUPAC name is N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID91650469
Molecular FormulaC15H18N8
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC NameN-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc2ccc(NCc3nnc(C4CC4)n3C3CC3)nn12
InChIInChI=1S/C15H18N8/c1-9-17-18-13-7-6-12(21-23(9)13)16-8-14-19-20-15(10-2-3-10)22(14)11-4-5-11/h6-7,10-11H,2-5,8H2,1H3,(H,16,21)
InChIKeyQVRONODYHUQCME-UHFFFAOYSA-N
XLogP1.85
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

methyl 2-cyclopropyl-6-[[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]pyridine-3-carboxylate
CID 133460162
3-cyclopropyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133296676
1-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylamino]-6-methylphenyl]ethanone
CID 86817470
2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetate
CID 7446930
2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetic acid
CID 4736985
3-methyl-N-[(4-phenylsulfanylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133397227
N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-2-methylbenzamide
CID 75524132
N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-4-methylbenzamide
CID 75509318
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-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133294997
4-cyclopropyl-3-[[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]-1H-1,2,4-triazol-5-one
CID 167939418
3-methyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 155948830

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 91650469) is N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1nnc2ccc(NCc3nnc(C4CC4)n3C3CC3)nn12.
What is the InChIKey of N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is QVRONODYHUQCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8/c1-9-17-18-13-7-6-12(21-23(9)13)16-8-14-19-20-15(10-2-3-10)22(14)11-4-5-11/h6-7,10-11H,2-5,8H2,1H3,(H,16,21).
What are the key properties of N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 310.37 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 91650469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).