N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C17H22N6 — CID 53498903

IUPACN-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(C)N(C)Cc1ccccc1CNc1ccc2nncn2n1
InChIInChI=1S/C17H22N6/c1-13(2)22(3)11-15-7-5-4-6-14(15)10-18-16-8-9-17-20-19-12-23(17)21-16/h4-9,12-13H,10-11H2,1-3H3,(H,18,21)
InChIKeyITMSTLMQIMPNET-UHFFFAOYSA-N
MW310.41 g/mol
LogP2.58
Rot. Bonds6

About N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 53498903) has the molecular formula C17H22N6 and a molecular weight of 310.41 g/mol. Its IUPAC name is N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID53498903
Molecular FormulaC17H22N6
Molecular Weight310.41 g/mol
Exact Mass310.19
IUPAC NameN-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(C)N(C)Cc1ccccc1CNc1ccc2nncn2n1
InChIInChI=1S/C17H22N6/c1-13(2)22(3)11-15-7-5-4-6-14(15)10-18-16-8-9-17-20-19-12-23(17)21-16/h4-9,12-13H,10-11H2,1-3H3,(H,18,21)
InChIKeyITMSTLMQIMPNET-UHFFFAOYSA-N
XLogP2.58
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 53498903) is N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CC(C)N(C)Cc1ccccc1CNc1ccc2nncn2n1.
What is the InChIKey of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is ITMSTLMQIMPNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-13(2)22(3)11-15-7-5-4-6-14(15)10-18-16-8-9-17-20-19-12-23(17)21-16/h4-9,12-13H,10-11H2,1-3H3,(H,18,21).
What are the key properties of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 310.41 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 53498903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).