1-[(1-ethylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine

C8H12N6 — CID 62126352

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
SMILESCCn1cc(Cn2cnc(N)n2)cn1
InChIInChI=1S/C8H12N6/c1-2-13-4-7(3-11-13)5-14-6-10-8(9)12-14/h3-4,6H,2,5H2,1H3,(H2,9,12)
InChIKeyNXKJGRNYTGXLQS-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.12
Rot. Bonds3

About 1-[(1-ethylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine

1-[(1-ethylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine (PubChem CID 62126352) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
PubChem CID62126352
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
SMILESCCn1cc(Cn2cnc(N)n2)cn1
InChIInChI=1S/C8H12N6/c1-2-13-4-7(3-11-13)5-14-6-10-8(9)12-14/h3-4,6H,2,5H2,1H3,(H2,9,12)
InChIKeyNXKJGRNYTGXLQS-UHFFFAOYSA-N
XLogP0.12
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(1-ethylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(chloromethyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole
CID 62730205
1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-ol
CID 116799436
1,4-diethylpyrazole;ethane
CID 143641951
4-(chloromethyl)-1-[(1-ethylpyrazol-4-yl)methyl]imidazole
CID 106720874
8-[(1-ethylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62127131
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide
CID 54901711
4-(1-chloropropyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole
CID 62729663
2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine
CID 62126920
1-[(5-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine
CID 102881131
3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]propan-1-amine
CID 114160006
4-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 83261894
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine (CID 62126352) is 1-[(1-ethylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine is CCn1cc(Cn2cnc(N)n2)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine?
The InChIKey is NXKJGRNYTGXLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-2-13-4-7(3-11-13)5-14-6-10-8(9)12-14/h3-4,6H,2,5H2,1H3,(H2,9,12).
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine?
1-[(1-ethylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine has a molecular weight of 192.23 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 62126352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).