5-cyclopropyl-2-methyl-4-propyl-1,2,4-triazol-3-one

C9H15N3O — CID 22091023

IUPAC5-cyclopropyl-2-methyl-4-propyl-1,2,4-triazol-3-one
SMILESCCCn1c(C2CC2)nn(C)c1=O
InChIInChI=1S/C9H15N3O/c1-3-6-12-8(7-4-5-7)10-11(2)9(12)13/h7H,3-6H2,1-2H3
InChIKeyXCTBTAMDCDTFST-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.87
Rot. Bonds3

About 5-cyclopropyl-2-methyl-4-propyl-1,2,4-triazol-3-one

5-cyclopropyl-2-methyl-4-propyl-1,2,4-triazol-3-one (PubChem CID 22091023) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-cyclopropyl-2-methyl-4-propyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-cyclopropyl-2-methyl-4-propyl-1,2,4-triazol-3-one
PubChem CID22091023
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-cyclopropyl-2-methyl-4-propyl-1,2,4-triazol-3-one
SMILESCCCn1c(C2CC2)nn(C)c1=O
InChIInChI=1S/C9H15N3O/c1-3-6-12-8(7-4-5-7)10-11(2)9(12)13/h7H,3-6H2,1-2H3
InChIKeyXCTBTAMDCDTFST-UHFFFAOYSA-N
XLogP0.87
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-Diethyl-2-propyl-1,2,4-triazol-3-one
CID 154699959
1-(cyclopropylmethyl)-3-methyl-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953692
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-(fluoromethyl)-1-methyl-4-(2-methylpropyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953642
3-cyclopropyl-1-(2,2-difluoroethyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953727
4-(cyclopropylmethyl)-1-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953820
2,4-Dimethyl-5-propan-2-yl-1,2,4-triazol-3-one
CID 18338552
3,4-dicyclopropyl-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 18737973
4-cyclopropyl-1,3-dimethyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 18737975
4-Cyclopropyl-5-ethyl-2-methyl-1,2,4-triazol-3-one
CID 18737977
3-cyclopropyl-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 18737987

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-methyl-4-propyl-1,2,4-triazol-3-one?
The IUPAC name of 5-cyclopropyl-2-methyl-4-propyl-1,2,4-triazol-3-one (CID 22091023) is 5-cyclopropyl-2-methyl-4-propyl-1,2,4-triazol-3-one.
What is the SMILES notation for 5-cyclopropyl-2-methyl-4-propyl-1,2,4-triazol-3-one?
The canonical SMILES for 5-cyclopropyl-2-methyl-4-propyl-1,2,4-triazol-3-one is CCCn1c(C2CC2)nn(C)c1=O.
What is the InChIKey of 5-cyclopropyl-2-methyl-4-propyl-1,2,4-triazol-3-one?
The InChIKey is XCTBTAMDCDTFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-6-12-8(7-4-5-7)10-11(2)9(12)13/h7H,3-6H2,1-2H3.
What are the key properties of 5-cyclopropyl-2-methyl-4-propyl-1,2,4-triazol-3-one?
5-cyclopropyl-2-methyl-4-propyl-1,2,4-triazol-3-one has a molecular weight of 181.24 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-methyl-4-propyl-1,2,4-triazol-3-one is sourced from PubChem (CID 22091023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).