[1-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]triazol-4-yl]methanamine

C10H12N8 — CID 113313955

IUPAC[1-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]triazol-4-yl]methanamine
SMILESCc1ccc2nnc(Cn3cc(CN)nn3)n2n1
InChIInChI=1S/C10H12N8/c1-7-2-3-9-13-14-10(18(9)15-7)6-17-5-8(4-11)12-16-17/h2-3,5H,4,6,11H2,1H3
InChIKeyQHJXEAKXOKVXLZ-UHFFFAOYSA-N
MW244.26 g/mol
LogP-0.47
Rot. Bonds3

About [1-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]triazol-4-yl]methanamine

[1-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]triazol-4-yl]methanamine (PubChem CID 113313955) has the molecular formula C10H12N8 and a molecular weight of 244.26 g/mol. Its IUPAC name is [1-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]triazol-4-yl]methanamine
PubChem CID113313955
Molecular FormulaC10H12N8
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name[1-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]triazol-4-yl]methanamine
SMILESCc1ccc2nnc(Cn3cc(CN)nn3)n2n1
InChIInChI=1S/C10H12N8/c1-7-2-3-9-13-14-10(18(9)15-7)6-17-5-8(4-11)12-16-17/h2-3,5H,4,6,11H2,1H3
InChIKeyQHJXEAKXOKVXLZ-UHFFFAOYSA-N
XLogP-0.47
TPSA99.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine
CID 62043689
5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)pentan-1-amine
CID 62043687
[1-[[3,5-bis[[4-(aminomethyl)triazol-1-yl]methyl]-2,4,6-trimethylphenyl]methyl]triazol-4-yl]methanamine
CID 172508919
[1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 62054469
3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126945129
4-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]aniline
CID 62042167
2-ethyl-2-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]butanoic acid
CID 62873848
2-[4-(aminomethyl)triazol-1-yl]-N-methylethanamine
CID 115460281
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]methanamine
CID 62055899
[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanamine
CID 114933213
[1-[(2,3,6-trichlorophenyl)methyl]triazol-4-yl]methanamine
CID 82204215
[1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]triazol-4-yl]methanamine
CID 115458013

Frequently Asked Questions

What is the IUPAC name of [1-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]triazol-4-yl]methanamine (CID 113313955) is [1-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]triazol-4-yl]methanamine is Cc1ccc2nnc(Cn3cc(CN)nn3)n2n1.
What is the InChIKey of [1-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]triazol-4-yl]methanamine?
The InChIKey is QHJXEAKXOKVXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N8/c1-7-2-3-9-13-14-10(18(9)15-7)6-17-5-8(4-11)12-16-17/h2-3,5H,4,6,11H2,1H3.
What are the key properties of [1-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]triazol-4-yl]methanamine?
[1-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]triazol-4-yl]methanamine has a molecular weight of 244.26 g/mol, XLogP of -0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 113313955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).