1-ethyl-5-(2-methylpyrazol-3-yl)triazol-4-amine

C8H12N6 — CID 165474795

IUPAC1-ethyl-5-(2-methylpyrazol-3-yl)triazol-4-amine
SMILESCCn1nnc(N)c1-c1ccnn1C
InChIInChI=1S/C8H12N6/c1-3-14-7(8(9)11-12-14)6-4-5-10-13(6)2/h4-5H,3,9H2,1-2H3
InChIKeyGLRPTGILVJBNLE-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.28
Rot. Bonds2

About 1-ethyl-5-(2-methylpyrazol-3-yl)triazol-4-amine

1-ethyl-5-(2-methylpyrazol-3-yl)triazol-4-amine (PubChem CID 165474795) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 1-ethyl-5-(2-methylpyrazol-3-yl)triazol-4-amine.

Molecular Properties

Compound Name1-ethyl-5-(2-methylpyrazol-3-yl)triazol-4-amine
PubChem CID165474795
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name1-ethyl-5-(2-methylpyrazol-3-yl)triazol-4-amine
SMILESCCn1nnc(N)c1-c1ccnn1C
InChIInChI=1S/C8H12N6/c1-3-14-7(8(9)11-12-14)6-4-5-10-13(6)2/h4-5H,3,9H2,1-2H3
InChIKeyGLRPTGILVJBNLE-UHFFFAOYSA-N
XLogP0.28
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(2-methylpyrazol-3-yl)triazol-4-amine?
The IUPAC name of 1-ethyl-5-(2-methylpyrazol-3-yl)triazol-4-amine (CID 165474795) is 1-ethyl-5-(2-methylpyrazol-3-yl)triazol-4-amine.
What is the SMILES notation for 1-ethyl-5-(2-methylpyrazol-3-yl)triazol-4-amine?
The canonical SMILES for 1-ethyl-5-(2-methylpyrazol-3-yl)triazol-4-amine is CCn1nnc(N)c1-c1ccnn1C.
What is the InChIKey of 1-ethyl-5-(2-methylpyrazol-3-yl)triazol-4-amine?
The InChIKey is GLRPTGILVJBNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-3-14-7(8(9)11-12-14)6-4-5-10-13(6)2/h4-5H,3,9H2,1-2H3.
What are the key properties of 1-ethyl-5-(2-methylpyrazol-3-yl)triazol-4-amine?
1-ethyl-5-(2-methylpyrazol-3-yl)triazol-4-amine has a molecular weight of 192.23 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(2-methylpyrazol-3-yl)triazol-4-amine is sourced from PubChem (CID 165474795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).