1-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazolidine-3,5-dione

C6H7N5O2 — CID 154577624

IUPAC1-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazolidine-3,5-dione
SMILESCn1[nH]c(=O)n(-c2ccn[nH]2)c1=O
InChIInChI=1S/C6H7N5O2/c1-10-6(13)11(5(12)9-10)4-2-3-7-8-4/h2-3H,1H3,(H,7,8)(H,9,12)
InChIKeyJVXPDSZSYMAZFM-UHFFFAOYSA-N
MW181.16 g/mol
LogP-1.41
Rot. Bonds1

About 1-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazolidine-3,5-dione

1-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazolidine-3,5-dione (PubChem CID 154577624) has the molecular formula C6H7N5O2 and a molecular weight of 181.16 g/mol. Its IUPAC name is 1-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name1-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazolidine-3,5-dione
PubChem CID154577624
Molecular FormulaC6H7N5O2
Molecular Weight181.16 g/mol
Exact Mass181.06
IUPAC Name1-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazolidine-3,5-dione
SMILESCn1[nH]c(=O)n(-c2ccn[nH]2)c1=O
InChIInChI=1S/C6H7N5O2/c1-10-6(13)11(5(12)9-10)4-2-3-7-8-4/h2-3H,1H3,(H,7,8)(H,9,12)
InChIKeyJVXPDSZSYMAZFM-UHFFFAOYSA-N
XLogP-1.41
TPSA88.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 1-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazolidine-3,5-dione (CID 154577624) is 1-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 1-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 1-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazolidine-3,5-dione is Cn1[nH]c(=O)n(-c2ccn[nH]2)c1=O.
What is the InChIKey of 1-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazolidine-3,5-dione?
The InChIKey is JVXPDSZSYMAZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O2/c1-10-6(13)11(5(12)9-10)4-2-3-7-8-4/h2-3H,1H3,(H,7,8)(H,9,12).
What are the key properties of 1-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazolidine-3,5-dione?
1-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazolidine-3,5-dione has a molecular weight of 181.16 g/mol, XLogP of -1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 154577624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).