4-N,4-N-dimethyl-6-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrimidine-4,6-diamine

C16H21N9 — CID 126888461

IUPAC4-N,4-N-dimethyl-6-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCN(c3ccc4nncn4n3)CC2)ncn1
InChIInChI=1S/C16H21N9/c1-23(2)16-9-13(17-10-18-16)20-12-5-7-24(8-6-12)15-4-3-14-21-19-11-25(14)22-15/h3-4,9-12H,5-8H2,1-2H3,(H,17,18,20)
InChIKeyMMPDHCNMNLYIMF-UHFFFAOYSA-N
MW339.41 g/mol
LogP1.06
Rot. Bonds4

About 4-N,4-N-dimethyl-6-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrimidine-4,6-diamine

4-N,4-N-dimethyl-6-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrimidine-4,6-diamine (PubChem CID 126888461) has the molecular formula C16H21N9 and a molecular weight of 339.41 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-6-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-6-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrimidine-4,6-diamine
PubChem CID126888461
Molecular FormulaC16H21N9
Molecular Weight339.41 g/mol
Exact Mass339.19
IUPAC Name4-N,4-N-dimethyl-6-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCN(c3ccc4nncn4n3)CC2)ncn1
InChIInChI=1S/C16H21N9/c1-23(2)16-9-13(17-10-18-16)20-12-5-7-24(8-6-12)15-4-3-14-21-19-11-25(14)22-15/h3-4,9-12H,5-8H2,1-2H3,(H,17,18,20)
InChIKeyMMPDHCNMNLYIMF-UHFFFAOYSA-N
XLogP1.06
TPSA87.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-6-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-dimethyl-6-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrimidine-4,6-diamine (CID 126888461) is 4-N,4-N-dimethyl-6-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-6-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-6-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrimidine-4,6-diamine is CN(C)c1cc(NC2CCN(c3ccc4nncn4n3)CC2)ncn1.
What is the InChIKey of 4-N,4-N-dimethyl-6-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrimidine-4,6-diamine?
The InChIKey is MMPDHCNMNLYIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N9/c1-23(2)16-9-13(17-10-18-16)20-12-5-7-24(8-6-12)15-4-3-14-21-19-11-25(14)22-15/h3-4,9-12H,5-8H2,1-2H3,(H,17,18,20).
What are the key properties of 4-N,4-N-dimethyl-6-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrimidine-4,6-diamine?
4-N,4-N-dimethyl-6-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrimidine-4,6-diamine has a molecular weight of 339.41 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-6-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 126888461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).