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

C9H13N5O2 — CID 107409780

IUPAC4-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-triazolidine-3,5-dione
SMILESCc1[nH]ncc1CCCn1c(=O)[nH][nH]c1=O
InChIInChI=1S/C9H13N5O2/c1-6-7(5-10-11-6)3-2-4-14-8(15)12-13-9(14)16/h5H,2-4H2,1H3,(H,10,11)(H,12,15)(H,13,16)
InChIKeyRWAXMWVOIPAICX-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.47
Rot. Bonds4

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

4-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-triazolidine-3,5-dione (PubChem CID 107409780) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 4-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-triazolidine-3,5-dione
PubChem CID107409780
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name4-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-triazolidine-3,5-dione
SMILESCc1[nH]ncc1CCCn1c(=O)[nH][nH]c1=O
InChIInChI=1S/C9H13N5O2/c1-6-7(5-10-11-6)3-2-4-14-8(15)12-13-9(14)16/h5H,2-4H2,1H3,(H,10,11)(H,12,15)(H,13,16)
InChIKeyRWAXMWVOIPAICX-UHFFFAOYSA-N
XLogP-0.47
TPSA99.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazolidine-2,4,5-trione
CID 62039834
2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 60976690
5-ethyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513092
1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6,7-dihydro-5H-indol-4-one
CID 62038577
4-[3-(dimethylsulfamoylamino)propyl]-5-methyl-1H-pyrazole
CID 62040310
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide
CID 62040706
3-(5-methyl-1H-pyrazol-4-yl)propanoic acid
CID 23006022
3-(5-methyl-1H-pyrazol-4-yl)-N-(methylsulfamoyl)propan-1-amine
CID 114810051
5-[(4-fluorophenyl)methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-diazinane-2,4-dione
CID 167758065
(2S,3S)-2,3,4-trimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine-1-carboxamide
CID 97308171
4-[5-cyclobutyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-triazol-3-yl]morpholine
CID 167789057
3-(5-methyl-1H-pyrazol-4-yl)propanenitrile
CID 121212043

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-triazolidine-3,5-dione (CID 107409780) is 4-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-triazolidine-3,5-dione is Cc1[nH]ncc1CCCn1c(=O)[nH][nH]c1=O.
What is the InChIKey of 4-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-triazolidine-3,5-dione?
The InChIKey is RWAXMWVOIPAICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-6-7(5-10-11-6)3-2-4-14-8(15)12-13-9(14)16/h5H,2-4H2,1H3,(H,10,11)(H,12,15)(H,13,16).
What are the key properties of 4-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-triazolidine-3,5-dione?
4-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-triazolidine-3,5-dione has a molecular weight of 223.24 g/mol, XLogP of -0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 107409780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).