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

C11H19N7 — CID 66015829

IUPAC3-ethyl-1-methyl-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4,5-diamine
SMILESCCc1nn(C)c(NC(C)c2nncn2C)c1N
InChIInChI=1S/C11H19N7/c1-5-8-9(12)11(18(4)16-8)14-7(2)10-15-13-6-17(10)3/h6-7,14H,5,12H2,1-4H3
InChIKeyYEQMLOPSMAOWCB-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.87
Rot. Bonds4

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

3-ethyl-1-methyl-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4,5-diamine (PubChem CID 66015829) has the molecular formula C11H19N7 and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-ethyl-1-methyl-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4,5-diamine.

Molecular Properties

Compound Name3-ethyl-1-methyl-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4,5-diamine
PubChem CID66015829
Molecular FormulaC11H19N7
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC Name3-ethyl-1-methyl-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4,5-diamine
SMILESCCc1nn(C)c(NC(C)c2nncn2C)c1N
InChIInChI=1S/C11H19N7/c1-5-8-9(12)11(18(4)16-8)14-7(2)10-15-13-6-17(10)3/h6-7,14H,5,12H2,1-4H3
InChIKeyYEQMLOPSMAOWCB-UHFFFAOYSA-N
XLogP0.87
TPSA86.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4,5-diamine?
The IUPAC name of 3-ethyl-1-methyl-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4,5-diamine (CID 66015829) is 3-ethyl-1-methyl-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4,5-diamine.
What is the SMILES notation for 3-ethyl-1-methyl-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4,5-diamine?
The canonical SMILES for 3-ethyl-1-methyl-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4,5-diamine is CCc1nn(C)c(NC(C)c2nncn2C)c1N.
What is the InChIKey of 3-ethyl-1-methyl-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4,5-diamine?
The InChIKey is YEQMLOPSMAOWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7/c1-5-8-9(12)11(18(4)16-8)14-7(2)10-15-13-6-17(10)3/h6-7,14H,5,12H2,1-4H3.
What are the key properties of 3-ethyl-1-methyl-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4,5-diamine?
3-ethyl-1-methyl-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4,5-diamine has a molecular weight of 249.32 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4,5-diamine is sourced from PubChem (CID 66015829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).