(1R)-N,N-dimethyl-N'-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine

C14H18N6S — CID 95264644

IUPAC(1R)-N,N-dimethyl-N'-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCc1nnc2ccc(NC[C@H](c3cccs3)N(C)C)nn12
InChIInChI=1S/C14H18N6S/c1-10-16-17-14-7-6-13(18-20(10)14)15-9-11(19(2)3)12-5-4-8-21-12/h4-8,11H,9H2,1-3H3,(H,15,18)/t11-/m1/s1
InChIKeySXZFNLWKPUPAGV-LLVKDONJSA-N
MW302.41 g/mol
LogP2.21
Rot. Bonds5

About (1R)-N,N-dimethyl-N'-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine

(1R)-N,N-dimethyl-N'-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 95264644) has the molecular formula C14H18N6S and a molecular weight of 302.41 g/mol. Its IUPAC name is (1R)-N,N-dimethyl-N'-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-N,N-dimethyl-N'-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine
PubChem CID95264644
Molecular FormulaC14H18N6S
Molecular Weight302.41 g/mol
Exact Mass302.13
IUPAC Name(1R)-N,N-dimethyl-N'-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCc1nnc2ccc(NC[C@H](c3cccs3)N(C)C)nn12
InChIInChI=1S/C14H18N6S/c1-10-16-17-14-7-6-13(18-20(10)14)15-9-11(19(2)3)12-5-4-8-21-12/h4-8,11H,9H2,1-3H3,(H,15,18)/t11-/m1/s1
InChIKeySXZFNLWKPUPAGV-LLVKDONJSA-N
XLogP2.21
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1R)-N,N-dimethyl-N'-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of (1R)-N,N-dimethyl-N'-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine (CID 95264644) is (1R)-N,N-dimethyl-N'-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for (1R)-N,N-dimethyl-N'-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for (1R)-N,N-dimethyl-N'-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine is Cc1nnc2ccc(NC[C@H](c3cccs3)N(C)C)nn12.
What is the InChIKey of (1R)-N,N-dimethyl-N'-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is SXZFNLWKPUPAGV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N6S/c1-10-16-17-14-7-6-13(18-20(10)14)15-9-11(19(2)3)12-5-4-8-21-12/h4-8,11H,9H2,1-3H3,(H,15,18)/t11-/m1/s1.
What are the key properties of (1R)-N,N-dimethyl-N'-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine?
(1R)-N,N-dimethyl-N'-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 302.41 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N,N-dimethyl-N'-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 95264644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).