4-ethyl-2-methyl-5-[[1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one

C18H25N7O2 — CID 56708156

IUPAC4-ethyl-2-methyl-5-[[1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one
SMILESCCn1c(CC2CCN(C(=O)c3cnn4ccn(C)c34)CC2)nn(C)c1=O
InChIInChI=1S/C18H25N7O2/c1-4-24-15(20-22(3)18(24)27)11-13-5-7-23(8-6-13)17(26)14-12-19-25-10-9-21(2)16(14)25/h9-10,12-13H,4-8,11H2,1-3H3
InChIKeyVPGRVMPKLJMCHW-UHFFFAOYSA-N
MW371.45 g/mol
LogP0.68
Rot. Bonds4

About 4-ethyl-2-methyl-5-[[1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one

4-ethyl-2-methyl-5-[[1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one (PubChem CID 56708156) has the molecular formula C18H25N7O2 and a molecular weight of 371.45 g/mol. Its IUPAC name is 4-ethyl-2-methyl-5-[[1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-2-methyl-5-[[1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one
PubChem CID56708156
Molecular FormulaC18H25N7O2
Molecular Weight371.45 g/mol
Exact Mass371.21
IUPAC Name4-ethyl-2-methyl-5-[[1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one
SMILESCCn1c(CC2CCN(C(=O)c3cnn4ccn(C)c34)CC2)nn(C)c1=O
InChIInChI=1S/C18H25N7O2/c1-4-24-15(20-22(3)18(24)27)11-13-5-7-23(8-6-13)17(26)14-12-19-25-10-9-21(2)16(14)25/h9-10,12-13H,4-8,11H2,1-3H3
InChIKeyVPGRVMPKLJMCHW-UHFFFAOYSA-N
XLogP0.68
TPSA82.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-5-[[1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-2-methyl-5-[[1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one (CID 56708156) is 4-ethyl-2-methyl-5-[[1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-2-methyl-5-[[1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-2-methyl-5-[[1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one is CCn1c(CC2CCN(C(=O)c3cnn4ccn(C)c34)CC2)nn(C)c1=O.
What is the InChIKey of 4-ethyl-2-methyl-5-[[1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one?
The InChIKey is VPGRVMPKLJMCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O2/c1-4-24-15(20-22(3)18(24)27)11-13-5-7-23(8-6-13)17(26)14-12-19-25-10-9-21(2)16(14)25/h9-10,12-13H,4-8,11H2,1-3H3.
What are the key properties of 4-ethyl-2-methyl-5-[[1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one?
4-ethyl-2-methyl-5-[[1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one has a molecular weight of 371.45 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-5-[[1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one is sourced from PubChem (CID 56708156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).