3-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile

C16H21N7 — CID 95764262

IUPAC3-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCc1nnc2n1C[C@@H](CNc1nnc(C)c(C)c1C#N)CC2
InChIInChI=1S/C16H21N7/c1-4-14-20-21-15-6-5-12(9-23(14)15)8-18-16-13(7-17)10(2)11(3)19-22-16/h12H,4-6,8-9H2,1-3H3,(H,18,22)/t12-/m1/s1
InChIKeyKKPVUCVSRMJXEM-GFCCVEGCSA-N
MW311.39 g/mol
LogP1.79
Rot. Bonds4

About 3-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile

3-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 95764262) has the molecular formula C16H21N7 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID95764262
Molecular FormulaC16H21N7
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC Name3-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCc1nnc2n1C[C@@H](CNc1nnc(C)c(C)c1C#N)CC2
InChIInChI=1S/C16H21N7/c1-4-14-20-21-15-6-5-12(9-23(14)15)8-18-16-13(7-17)10(2)11(3)19-22-16/h12H,4-6,8-9H2,1-3H3,(H,18,22)/t12-/m1/s1
InChIKeyKKPVUCVSRMJXEM-GFCCVEGCSA-N
XLogP1.79
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile (CID 95764262) is 3-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile is CCc1nnc2n1C[C@@H](CNc1nnc(C)c(C)c1C#N)CC2.
What is the InChIKey of 3-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is KKPVUCVSRMJXEM-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N7/c1-4-14-20-21-15-6-5-12(9-23(14)15)8-18-16-13(7-17)10(2)11(3)19-22-16/h12H,4-6,8-9H2,1-3H3,(H,18,22)/t12-/m1/s1.
What are the key properties of 3-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 311.39 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 95764262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).