N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C22H19N7 — CID 133406759

IUPACN-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCn1c(C2CC2)nc2cc(Nc3ccc4nnc(-c5ccccc5)n4n3)ccc21
InChIInChI=1S/C22H19N7/c1-28-18-10-9-16(13-17(18)24-21(28)15-7-8-15)23-19-11-12-20-25-26-22(29(20)27-19)14-5-3-2-4-6-14/h2-6,9-13,15H,7-8H2,1H3,(H,23,27)
InChIKeyJQUJHKMHTNDNSY-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.30
Rot. Bonds4

About N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133406759) has the molecular formula C22H19N7 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133406759
Molecular FormulaC22H19N7
Molecular Weight381.44 g/mol
Exact Mass381.17
IUPAC NameN-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCn1c(C2CC2)nc2cc(Nc3ccc4nnc(-c5ccccc5)n4n3)ccc21
InChIInChI=1S/C22H19N7/c1-28-18-10-9-16(13-17(18)24-21(28)15-7-8-15)23-19-11-12-20-25-26-22(29(20)27-19)14-5-3-2-4-6-14/h2-6,9-13,15H,7-8H2,1H3,(H,23,27)
InChIKeyJQUJHKMHTNDNSY-UHFFFAOYSA-N
XLogP4.30
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

N-(1,2-dimethylbenzimidazol-5-yl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133428180
4-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 133406706
N-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 167878418
N-(2-methyl-1-phenylbenzimidazol-5-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 24605068
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133406710
3-(4-bromophenyl)-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 1336331
2-cyclopropyl-1-methyl-N-(3-nitro-2-pyridinyl)benzimidazol-5-amine
CID 133406697
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylfuran-3-carboxamide
CID 75392652
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-1,3-oxazole-4-carboxamide
CID 75392653
2-cyclopropyl-1-methyl-N-(4-methylsulfonyl-2-nitrophenyl)benzimidazol-5-amine
CID 133406692
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

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133406759) is N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cn1c(C2CC2)nc2cc(Nc3ccc4nnc(-c5ccccc5)n4n3)ccc21.
What is the InChIKey of N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is JQUJHKMHTNDNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7/c1-28-18-10-9-16(13-17(18)24-21(28)15-7-8-15)23-19-11-12-20-25-26-22(29(20)27-19)14-5-3-2-4-6-14/h2-6,9-13,15H,7-8H2,1H3,(H,23,27).
What are the key properties of N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 381.44 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133406759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).