3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C12H15N7 — CID 133305834

IUPAC3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc2ccc(NCCc3nccn3C)nn12
InChIInChI=1S/C12H15N7/c1-9-15-16-12-4-3-10(17-19(9)12)13-6-5-11-14-7-8-18(11)2/h3-4,7-8H,5-6H2,1-2H3,(H,13,17)
InChIKeyYXNACGQEORUFJU-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.82
Rot. Bonds4

About 3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133305834) has the molecular formula C12H15N7 and a molecular weight of 257.30 g/mol. Its IUPAC name is 3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133305834
Molecular FormulaC12H15N7
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc2ccc(NCCc3nccn3C)nn12
InChIInChI=1S/C12H15N7/c1-9-15-16-12-4-3-10(17-19(9)12)13-6-5-11-14-7-8-18(11)2/h3-4,7-8H,5-6H2,1-2H3,(H,13,17)
InChIKeyYXNACGQEORUFJU-UHFFFAOYSA-N
XLogP0.82
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 61210542
2,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527594
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
6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 63587851
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 60520890
1-methoxy-4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]butan-2-ol
CID 133415348
4-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527511
2,3-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527496
6-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine
CID 66327115
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133378510
4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527491

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133305834) is 3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1nnc2ccc(NCCc3nccn3C)nn12.
What is the InChIKey of 3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is YXNACGQEORUFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7/c1-9-15-16-12-4-3-10(17-19(9)12)13-6-5-11-14-7-8-18(11)2/h3-4,7-8H,5-6H2,1-2H3,(H,13,17).
What are the key properties of 3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 257.30 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133305834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).