4-ethyl-3-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazole

C8H11N5 — CID 137444720

IUPAC4-ethyl-3-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazole
SMILESCCn1c(C)nnc1-c1cn[nH]c1
InChIInChI=1S/C8H11N5/c1-3-13-6(2)11-12-8(13)7-4-9-10-5-7/h4-5H,3H2,1-2H3,(H,9,10)
InChIKeySBRCAUYTOYCSOU-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.00
Rot. Bonds2

About 4-ethyl-3-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazole

4-ethyl-3-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazole (PubChem CID 137444720) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 4-ethyl-3-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-ethyl-3-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazole
PubChem CID137444720
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name4-ethyl-3-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazole
SMILESCCn1c(C)nnc1-c1cn[nH]c1
InChIInChI=1S/C8H11N5/c1-3-13-6(2)11-12-8(13)7-4-9-10-5-7/h4-5H,3H2,1-2H3,(H,9,10)
InChIKeySBRCAUYTOYCSOU-UHFFFAOYSA-N
XLogP1.00
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazole?
The IUPAC name of 4-ethyl-3-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazole (CID 137444720) is 4-ethyl-3-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazole.
What is the SMILES notation for 4-ethyl-3-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazole?
The canonical SMILES for 4-ethyl-3-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazole is CCn1c(C)nnc1-c1cn[nH]c1.
What is the InChIKey of 4-ethyl-3-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazole?
The InChIKey is SBRCAUYTOYCSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-3-13-6(2)11-12-8(13)7-4-9-10-5-7/h4-5H,3H2,1-2H3,(H,9,10).
What are the key properties of 4-ethyl-3-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazole?
4-ethyl-3-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazole has a molecular weight of 177.21 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazole is sourced from PubChem (CID 137444720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).