2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methyl-1,2,4-triazol-3-one

C10H15N5O — CID 116626760

IUPAC2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methyl-1,2,4-triazol-3-one
SMILESCCc1cc(Cn2ncn(C)c2=O)n(C)n1
InChIInChI=1S/C10H15N5O/c1-4-8-5-9(14(3)12-8)6-15-10(16)13(2)7-11-15/h5,7H,4,6H2,1-3H3
InChIKeyVJZJNCSNMAOMCM-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.07
Rot. Bonds3

About 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methyl-1,2,4-triazol-3-one

2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methyl-1,2,4-triazol-3-one (PubChem CID 116626760) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methyl-1,2,4-triazol-3-one
PubChem CID116626760
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methyl-1,2,4-triazol-3-one
SMILESCCc1cc(Cn2ncn(C)c2=O)n(C)n1
InChIInChI=1S/C10H15N5O/c1-4-8-5-9(14(3)12-8)6-15-10(16)13(2)7-11-15/h5,7H,4,6H2,1-3H3
InChIKeyVJZJNCSNMAOMCM-UHFFFAOYSA-N
XLogP-0.07
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methyl-1,2,4-triazol-3-one?
The IUPAC name of 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methyl-1,2,4-triazol-3-one (CID 116626760) is 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methyl-1,2,4-triazol-3-one is CCc1cc(Cn2ncn(C)c2=O)n(C)n1.
What is the InChIKey of 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methyl-1,2,4-triazol-3-one?
The InChIKey is VJZJNCSNMAOMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-4-8-5-9(14(3)12-8)6-15-10(16)13(2)7-11-15/h5,7H,4,6H2,1-3H3.
What are the key properties of 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methyl-1,2,4-triazol-3-one?
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methyl-1,2,4-triazol-3-one has a molecular weight of 221.26 g/mol, XLogP of -0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 116626760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).