5-cyclopropyl-2,4-dimethyl-1,2,4-triazol-3-one

C7H11N3O — CID 18737987

IUPAC5-cyclopropyl-2,4-dimethyl-1,2,4-triazol-3-one
SMILESCn1nc(C2CC2)n(C)c1=O
InChIInChI=1S/C7H11N3O/c1-9-6(5-3-4-5)8-10(2)7(9)11/h5H,3-4H2,1-2H3
InChIKeyLQOVMNIIOOASMX-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.00
Rot. Bonds1

About 5-cyclopropyl-2,4-dimethyl-1,2,4-triazol-3-one

5-cyclopropyl-2,4-dimethyl-1,2,4-triazol-3-one (PubChem CID 18737987) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 5-cyclopropyl-2,4-dimethyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-cyclopropyl-2,4-dimethyl-1,2,4-triazol-3-one
PubChem CID18737987
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name5-cyclopropyl-2,4-dimethyl-1,2,4-triazol-3-one
SMILESCn1nc(C2CC2)n(C)c1=O
InChIInChI=1S/C7H11N3O/c1-9-6(5-3-4-5)8-10(2)7(9)11/h5H,3-4H2,1-2H3
InChIKeyLQOVMNIIOOASMX-UHFFFAOYSA-N
XLogP-0.00
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 129980768
5-(1-Fluoroethyl)-2,4-dimethyl-1,2,4-triazol-3-one
CID 141913164
4-(cyclopropylmethyl)-3-(fluoromethyl)-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953631
1-(cyclopropylmethyl)-3-(fluoromethyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953639
3-cyclopropyl-1-(2,2-difluoroethyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953727
2,4-Dimethyl-5-propan-2-yl-1,2,4-triazol-3-one
CID 18338552
2,4-Dimethyl-5-propyl-1,2,4-triazol-3-one
CID 18737969
3,4-dicyclopropyl-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 18737973
5-Ethyl-2,4-dimethyl-1,2,4-triazol-3-one
CID 18737990
5-Cyclopropyl-2-ethyl-4-methyl-1,2,4-triazol-3-one
CID 20731876
2,5-Diethyl-4-methyl-1,2,4-triazol-3-one
CID 20818625
CID 21129176
CID 21129176

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2,4-dimethyl-1,2,4-triazol-3-one?
The IUPAC name of 5-cyclopropyl-2,4-dimethyl-1,2,4-triazol-3-one (CID 18737987) is 5-cyclopropyl-2,4-dimethyl-1,2,4-triazol-3-one.
What is the SMILES notation for 5-cyclopropyl-2,4-dimethyl-1,2,4-triazol-3-one?
The canonical SMILES for 5-cyclopropyl-2,4-dimethyl-1,2,4-triazol-3-one is Cn1nc(C2CC2)n(C)c1=O.
What is the InChIKey of 5-cyclopropyl-2,4-dimethyl-1,2,4-triazol-3-one?
The InChIKey is LQOVMNIIOOASMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-9-6(5-3-4-5)8-10(2)7(9)11/h5H,3-4H2,1-2H3.
What are the key properties of 5-cyclopropyl-2,4-dimethyl-1,2,4-triazol-3-one?
5-cyclopropyl-2,4-dimethyl-1,2,4-triazol-3-one has a molecular weight of 153.18 g/mol, XLogP of -0.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2,4-dimethyl-1,2,4-triazol-3-one is sourced from PubChem (CID 18737987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).