5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]triazol-4-amine

C9H14N6 — CID 79542052

IUPAC5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]triazol-4-amine
SMILESCCc1c(N)nnn1Cc1cnn(C)c1
InChIInChI=1S/C9H14N6/c1-3-8-9(10)12-13-15(8)6-7-4-11-14(2)5-7/h4-5H,3,6,10H2,1-2H3
InChIKeyXFOCYQSJUZDKFE-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.20
Rot. Bonds3

About 5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]triazol-4-amine

5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]triazol-4-amine (PubChem CID 79542052) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is 5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]triazol-4-amine
PubChem CID79542052
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]triazol-4-amine
SMILESCCc1c(N)nnn1Cc1cnn(C)c1
InChIInChI=1S/C9H14N6/c1-3-8-9(10)12-13-15(8)6-7-4-11-14(2)5-7/h4-5H,3,6,10H2,1-2H3
InChIKeyXFOCYQSJUZDKFE-UHFFFAOYSA-N
XLogP0.20
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]triazol-4-amine?
The IUPAC name of 5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]triazol-4-amine (CID 79542052) is 5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]triazol-4-amine.
What is the SMILES notation for 5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]triazol-4-amine?
The canonical SMILES for 5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]triazol-4-amine is CCc1c(N)nnn1Cc1cnn(C)c1.
What is the InChIKey of 5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]triazol-4-amine?
The InChIKey is XFOCYQSJUZDKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-3-8-9(10)12-13-15(8)6-7-4-11-14(2)5-7/h4-5H,3,6,10H2,1-2H3.
What are the key properties of 5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]triazol-4-amine?
5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]triazol-4-amine has a molecular weight of 206.25 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79542052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).