3-ethyl-5-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrazole-4,5-diamine

C11H19N7 — CID 106301851

IUPAC3-ethyl-5-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(NCc2nncn2CC)c1N
InChIInChI=1S/C11H19N7/c1-4-8-10(12)11(17(3)16-8)13-6-9-15-14-7-18(9)5-2/h7,13H,4-6,12H2,1-3H3
InChIKeyADRQMWJZGYLUDD-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.79
Rot. Bonds5

About 3-ethyl-5-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrazole-4,5-diamine

3-ethyl-5-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrazole-4,5-diamine (PubChem CID 106301851) has the molecular formula C11H19N7 and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-ethyl-5-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name3-ethyl-5-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrazole-4,5-diamine
PubChem CID106301851
Molecular FormulaC11H19N7
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC Name3-ethyl-5-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(NCc2nncn2CC)c1N
InChIInChI=1S/C11H19N7/c1-4-8-10(12)11(17(3)16-8)13-6-9-15-14-7-18(9)5-2/h7,13H,4-6,12H2,1-3H3
InChIKeyADRQMWJZGYLUDD-UHFFFAOYSA-N
XLogP0.79
TPSA86.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrazole-4,5-diamine?
The IUPAC name of 3-ethyl-5-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrazole-4,5-diamine (CID 106301851) is 3-ethyl-5-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrazole-4,5-diamine.
What is the SMILES notation for 3-ethyl-5-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrazole-4,5-diamine?
The canonical SMILES for 3-ethyl-5-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrazole-4,5-diamine is CCc1nn(C)c(NCc2nncn2CC)c1N.
What is the InChIKey of 3-ethyl-5-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrazole-4,5-diamine?
The InChIKey is ADRQMWJZGYLUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7/c1-4-8-10(12)11(17(3)16-8)13-6-9-15-14-7-18(9)5-2/h7,13H,4-6,12H2,1-3H3.
What are the key properties of 3-ethyl-5-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrazole-4,5-diamine?
3-ethyl-5-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrazole-4,5-diamine has a molecular weight of 249.32 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrazole-4,5-diamine is sourced from PubChem (CID 106301851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).