3-(oxan-4-yl)-4-propan-2-yl-1,2,4-triazole

C10H17N3O — CID 115394004

IUPAC3-(oxan-4-yl)-4-propan-2-yl-1,2,4-triazole
SMILESCC(C)n1cnnc1C1CCOCC1
InChIInChI=1S/C10H17N3O/c1-8(2)13-7-11-12-10(13)9-3-5-14-6-4-9/h7-9H,3-6H2,1-2H3
InChIKeySGSPBBQWUQRHSG-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.75
Rot. Bonds2

About 3-(oxan-4-yl)-4-propan-2-yl-1,2,4-triazole

3-(oxan-4-yl)-4-propan-2-yl-1,2,4-triazole (PubChem CID 115394004) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-(oxan-4-yl)-4-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-(oxan-4-yl)-4-propan-2-yl-1,2,4-triazole
PubChem CID115394004
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-(oxan-4-yl)-4-propan-2-yl-1,2,4-triazole
SMILESCC(C)n1cnnc1C1CCOCC1
InChIInChI=1S/C10H17N3O/c1-8(2)13-7-11-12-10(13)9-3-5-14-6-4-9/h7-9H,3-6H2,1-2H3
InChIKeySGSPBBQWUQRHSG-UHFFFAOYSA-N
XLogP1.75
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-isopropyl-4H-1,2,4-triazol-3-yl)-N-methyl-N-(tetrahydrofuran-3-ylmethyl)methanamine
CID 50975179
3-[4-(2-Methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine
CID 73439203
1-(Oxan-4-yl)-3-(4-propyl-1,2,4-triazol-3-yl)piperidine
CID 53192748
3-(4-isopropyl-4H-1,2,4-triazol-3-yl)-1-tetrahydro-2H-pyran-4-ylpiperidine
CID 53192749
4-(4-methyl-4H-1,2,4-triazol-3-yl)-1-(tetrahydrofuran-3-ylmethyl)piperidine
CID 74237197
4-(4-methyl-4H-1,2,4-triazol-3-yl)-1-(tetrahydro-2H-pyran-3-ylmethyl)piperidine
CID 91832863
N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxan-4-amine
CID 125440078
4-cyclohexyl-3-[(R)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole
CID 175875242
4-Ethyl-3-[fluoro(oxetan-3-yl)methyl]-1,2,4-triazole
CID 175875276
4-cyclohexyl-3-[(S)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole
CID 175875380
4-(4-Methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpiperidine
CID 58877822
5-Tert-butyl-1-(oxan-4-yl)-1,2,4-triazole
CID 59129104

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yl)-4-propan-2-yl-1,2,4-triazole?
The IUPAC name of 3-(oxan-4-yl)-4-propan-2-yl-1,2,4-triazole (CID 115394004) is 3-(oxan-4-yl)-4-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 3-(oxan-4-yl)-4-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 3-(oxan-4-yl)-4-propan-2-yl-1,2,4-triazole is CC(C)n1cnnc1C1CCOCC1.
What is the InChIKey of 3-(oxan-4-yl)-4-propan-2-yl-1,2,4-triazole?
The InChIKey is SGSPBBQWUQRHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(2)13-7-11-12-10(13)9-3-5-14-6-4-9/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-(oxan-4-yl)-4-propan-2-yl-1,2,4-triazole?
3-(oxan-4-yl)-4-propan-2-yl-1,2,4-triazole has a molecular weight of 195.27 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)-4-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 115394004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).