3-[2,6-diethyl-4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]piperidin-1-yl]propanenitrile

C21H30N10 — CID 146644895

IUPAC3-[2,6-diethyl-4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]piperidin-1-yl]propanenitrile
SMILESCCC1CC(Nc2nc(Nc3cc(C)[nH]n3)cc3ncnn23)CC(CC)N1CCC#N
InChIInChI=1S/C21H30N10/c1-4-16-10-15(11-17(5-2)30(16)8-6-7-22)25-21-27-18(12-20-23-13-24-31(20)21)26-19-9-14(3)28-29-19/h9,12-13,15-17H,4-6,8,10-11H2,1-3H3,(H,25,27)(H2,26,28,29)
InChIKeyHLJOXGIUDLHYHM-UHFFFAOYSA-N
MW422.54 g/mol
LogP3.25
Rot. Bonds8

About 3-[2,6-diethyl-4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]piperidin-1-yl]propanenitrile

3-[2,6-diethyl-4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]piperidin-1-yl]propanenitrile (PubChem CID 146644895) has the molecular formula C21H30N10 and a molecular weight of 422.54 g/mol. Its IUPAC name is 3-[2,6-diethyl-4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]piperidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[2,6-diethyl-4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]piperidin-1-yl]propanenitrile
PubChem CID146644895
Molecular FormulaC21H30N10
Molecular Weight422.54 g/mol
Exact Mass422.27
IUPAC Name3-[2,6-diethyl-4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]piperidin-1-yl]propanenitrile
SMILESCCC1CC(Nc2nc(Nc3cc(C)[nH]n3)cc3ncnn23)CC(CC)N1CCC#N
InChIInChI=1S/C21H30N10/c1-4-16-10-15(11-17(5-2)30(16)8-6-7-22)25-21-27-18(12-20-23-13-24-31(20)21)26-19-9-14(3)28-29-19/h9,12-13,15-17H,4-6,8,10-11H2,1-3H3,(H,25,27)(H2,26,28,29)
InChIKeyHLJOXGIUDLHYHM-UHFFFAOYSA-N
XLogP3.25
TPSA122.85 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-[2,6-diethyl-4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]piperidin-1-yl]propanenitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2,6-diethyl-4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]piperidin-1-yl]propanenitrile?
The IUPAC name of 3-[2,6-diethyl-4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]piperidin-1-yl]propanenitrile (CID 146644895) is 3-[2,6-diethyl-4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]piperidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[2,6-diethyl-4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]piperidin-1-yl]propanenitrile?
The canonical SMILES for 3-[2,6-diethyl-4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]piperidin-1-yl]propanenitrile is CCC1CC(Nc2nc(Nc3cc(C)[nH]n3)cc3ncnn23)CC(CC)N1CCC#N.
What is the InChIKey of 3-[2,6-diethyl-4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]piperidin-1-yl]propanenitrile?
The InChIKey is HLJOXGIUDLHYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N10/c1-4-16-10-15(11-17(5-2)30(16)8-6-7-22)25-21-27-18(12-20-23-13-24-31(20)21)26-19-9-14(3)28-29-19/h9,12-13,15-17H,4-6,8,10-11H2,1-3H3,(H,25,27)(H2,26,28,29).
What are the key properties of 3-[2,6-diethyl-4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]piperidin-1-yl]propanenitrile?
3-[2,6-diethyl-4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]piperidin-1-yl]propanenitrile has a molecular weight of 422.54 g/mol, XLogP of 3.25, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-diethyl-4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]piperidin-1-yl]propanenitrile is sourced from PubChem (CID 146644895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).