3-ethyl-5-(3-methyl-5-phenylpyrazol-1-yl)-1,2,4-triazol-4-amine;hydrochloride

C14H17ClN6 — CID 6602925

IUPAC3-ethyl-5-(3-methyl-5-phenylpyrazol-1-yl)-1,2,4-triazol-4-amine;hydrochloride
SMILESCCc1nnc(-n2nc(C)cc2-c2ccccc2)n1N.Cl
InChIInChI=1S/C14H16N6.ClH/c1-3-13-16-17-14(19(13)15)20-12(9-10(2)18-20)11-7-5-4-6-8-11;/h4-9H,3,15H2,1-2H3;1H
InChIKeyTZLNLFLSAMGKQD-UHFFFAOYSA-N
MW304.79 g/mol
LogP2.14
Rot. Bonds3

About 3-ethyl-5-(3-methyl-5-phenylpyrazol-1-yl)-1,2,4-triazol-4-amine;hydrochloride

3-ethyl-5-(3-methyl-5-phenylpyrazol-1-yl)-1,2,4-triazol-4-amine;hydrochloride (PubChem CID 6602925) has the molecular formula C14H17ClN6 and a molecular weight of 304.79 g/mol. Its IUPAC name is 3-ethyl-5-(3-methyl-5-phenylpyrazol-1-yl)-1,2,4-triazol-4-amine;hydrochloride.

Molecular Properties

Compound Name3-ethyl-5-(3-methyl-5-phenylpyrazol-1-yl)-1,2,4-triazol-4-amine;hydrochloride
PubChem CID6602925
Molecular FormulaC14H17ClN6
Molecular Weight304.79 g/mol
Exact Mass304.12
IUPAC Name3-ethyl-5-(3-methyl-5-phenylpyrazol-1-yl)-1,2,4-triazol-4-amine;hydrochloride
SMILESCCc1nnc(-n2nc(C)cc2-c2ccccc2)n1N.Cl
InChIInChI=1S/C14H16N6.ClH/c1-3-13-16-17-14(19(13)15)20-12(9-10(2)18-20)11-7-5-4-6-8-11;/h4-9H,3,15H2,1-2H3;1H
InChIKeyTZLNLFLSAMGKQD-UHFFFAOYSA-N
XLogP2.14
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.79
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(3-methyl-5-phenylpyrazol-1-yl)-1,2,4-triazol-4-amine;hydrochloride?
The IUPAC name of 3-ethyl-5-(3-methyl-5-phenylpyrazol-1-yl)-1,2,4-triazol-4-amine;hydrochloride (CID 6602925) is 3-ethyl-5-(3-methyl-5-phenylpyrazol-1-yl)-1,2,4-triazol-4-amine;hydrochloride.
What is the SMILES notation for 3-ethyl-5-(3-methyl-5-phenylpyrazol-1-yl)-1,2,4-triazol-4-amine;hydrochloride?
The canonical SMILES for 3-ethyl-5-(3-methyl-5-phenylpyrazol-1-yl)-1,2,4-triazol-4-amine;hydrochloride is CCc1nnc(-n2nc(C)cc2-c2ccccc2)n1N.Cl.
What is the InChIKey of 3-ethyl-5-(3-methyl-5-phenylpyrazol-1-yl)-1,2,4-triazol-4-amine;hydrochloride?
The InChIKey is TZLNLFLSAMGKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6.ClH/c1-3-13-16-17-14(19(13)15)20-12(9-10(2)18-20)11-7-5-4-6-8-11;/h4-9H,3,15H2,1-2H3;1H.
What are the key properties of 3-ethyl-5-(3-methyl-5-phenylpyrazol-1-yl)-1,2,4-triazol-4-amine;hydrochloride?
3-ethyl-5-(3-methyl-5-phenylpyrazol-1-yl)-1,2,4-triazol-4-amine;hydrochloride has a molecular weight of 304.79 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(3-methyl-5-phenylpyrazol-1-yl)-1,2,4-triazol-4-amine;hydrochloride is sourced from PubChem (CID 6602925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).