3-(oxolan-2-yl)-4-propyl-1,2,4-triazole

C9H15N3O — CID 115394978

IUPAC3-(oxolan-2-yl)-4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1C1CCCO1
InChIInChI=1S/C9H15N3O/c1-2-5-12-7-10-11-9(12)8-4-3-6-13-8/h7-8H,2-6H2,1H3
InChIKeyXGFGMWGTMDSUNA-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.54
Rot. Bonds3

About 3-(oxolan-2-yl)-4-propyl-1,2,4-triazole

3-(oxolan-2-yl)-4-propyl-1,2,4-triazole (PubChem CID 115394978) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-4-propyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(oxolan-2-yl)-4-propyl-1,2,4-triazole
PubChem CID115394978
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-(oxolan-2-yl)-4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1C1CCCO1
InChIInChI=1S/C9H15N3O/c1-2-5-12-7-10-11-9(12)8-4-3-6-13-8/h7-8H,2-6H2,1H3
InChIKeyXGFGMWGTMDSUNA-UHFFFAOYSA-N
XLogP1.54
TPSA39.94 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 ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxolan-2-yl)-4-propan-2-yl-1,2,4-triazole
CID 115393838
(2R)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine
CID 94552646
3-(chloromethyl)-5-(oxolan-2-yl)-4-propyl-1,2,4-triazole
CID 115398211
2-(4-propyl-1,2,4-triazol-3-yl)thiane 1,1-dioxide
CID 104523038
3-(bromomethyl)-4-ethyl-5-(oxolan-2-yl)-1,2,4-triazole
CID 115399474
6-chloro-2-(oxolan-2-yl)-1-propylbenzimidazole
CID 46310785
4-(4-propyl-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane
CID 176515401
(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]morpholine
CID 129330303
1-cyclopropyl-1-(4-propyl-1,2,4-triazol-3-yl)ethanamine
CID 64667693
3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine
CID 82909389
3-(2-cyclohexylethyl)-4-propyl-1,2,4-triazole
CID 115395107
2-(3-propylimidazol-4-yl)oxane-3-carbonitrile
CID 79368493

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-4-propyl-1,2,4-triazole?
The IUPAC name of 3-(oxolan-2-yl)-4-propyl-1,2,4-triazole (CID 115394978) is 3-(oxolan-2-yl)-4-propyl-1,2,4-triazole.
What is the SMILES notation for 3-(oxolan-2-yl)-4-propyl-1,2,4-triazole?
The canonical SMILES for 3-(oxolan-2-yl)-4-propyl-1,2,4-triazole is CCCn1cnnc1C1CCCO1.
What is the InChIKey of 3-(oxolan-2-yl)-4-propyl-1,2,4-triazole?
The InChIKey is XGFGMWGTMDSUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-5-12-7-10-11-9(12)8-4-3-6-13-8/h7-8H,2-6H2,1H3.
What are the key properties of 3-(oxolan-2-yl)-4-propyl-1,2,4-triazole?
3-(oxolan-2-yl)-4-propyl-1,2,4-triazole has a molecular weight of 181.24 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-4-propyl-1,2,4-triazole is sourced from PubChem (CID 115394978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).