4-(2-ethyl-1,2,4-triazol-3-yl)-2,5-dimethyl-1H-pyrazol-3-one

C9H13N5O — CID 165451204

IUPAC4-(2-ethyl-1,2,4-triazol-3-yl)-2,5-dimethyl-1H-pyrazol-3-one
SMILESCCn1ncnc1-c1c(C)[nH]n(C)c1=O
InChIInChI=1S/C9H13N5O/c1-4-14-8(10-5-11-14)7-6(2)12-13(3)9(7)15/h5,12H,4H2,1-3H3
InChIKeyZPEQIMKWOZYMJH-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.30
Rot. Bonds2

About 4-(2-ethyl-1,2,4-triazol-3-yl)-2,5-dimethyl-1H-pyrazol-3-one

4-(2-ethyl-1,2,4-triazol-3-yl)-2,5-dimethyl-1H-pyrazol-3-one (PubChem CID 165451204) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 4-(2-ethyl-1,2,4-triazol-3-yl)-2,5-dimethyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-(2-ethyl-1,2,4-triazol-3-yl)-2,5-dimethyl-1H-pyrazol-3-one
PubChem CID165451204
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name4-(2-ethyl-1,2,4-triazol-3-yl)-2,5-dimethyl-1H-pyrazol-3-one
SMILESCCn1ncnc1-c1c(C)[nH]n(C)c1=O
InChIInChI=1S/C9H13N5O/c1-4-14-8(10-5-11-14)7-6(2)12-13(3)9(7)15/h5,12H,4H2,1-3H3
InChIKeyZPEQIMKWOZYMJH-UHFFFAOYSA-N
XLogP0.30
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-1,2,4-triazol-3-yl)-2,5-dimethyl-1H-pyrazol-3-one?
The IUPAC name of 4-(2-ethyl-1,2,4-triazol-3-yl)-2,5-dimethyl-1H-pyrazol-3-one (CID 165451204) is 4-(2-ethyl-1,2,4-triazol-3-yl)-2,5-dimethyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-(2-ethyl-1,2,4-triazol-3-yl)-2,5-dimethyl-1H-pyrazol-3-one?
The canonical SMILES for 4-(2-ethyl-1,2,4-triazol-3-yl)-2,5-dimethyl-1H-pyrazol-3-one is CCn1ncnc1-c1c(C)[nH]n(C)c1=O.
What is the InChIKey of 4-(2-ethyl-1,2,4-triazol-3-yl)-2,5-dimethyl-1H-pyrazol-3-one?
The InChIKey is ZPEQIMKWOZYMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-4-14-8(10-5-11-14)7-6(2)12-13(3)9(7)15/h5,12H,4H2,1-3H3.
What are the key properties of 4-(2-ethyl-1,2,4-triazol-3-yl)-2,5-dimethyl-1H-pyrazol-3-one?
4-(2-ethyl-1,2,4-triazol-3-yl)-2,5-dimethyl-1H-pyrazol-3-one has a molecular weight of 207.24 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-1,2,4-triazol-3-yl)-2,5-dimethyl-1H-pyrazol-3-one is sourced from PubChem (CID 165451204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).