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

C10H17N3O — CID 146430980

IUPAC4-(oxan-4-yl)-3-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1nncn1C1CCOCC1
InChIInChI=1S/C10H17N3O/c1-8(2)10-12-11-7-13(10)9-3-5-14-6-4-9/h7-9H,3-6H2,1-2H3
InChIKeySRKIQBIRVDVRIV-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.75
Rot. Bonds2

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

4-(oxan-4-yl)-3-propan-2-yl-1,2,4-triazole (PubChem CID 146430980) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-(oxan-4-yl)-3-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name4-(oxan-4-yl)-3-propan-2-yl-1,2,4-triazole
PubChem CID146430980
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-(oxan-4-yl)-3-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1nncn1C1CCOCC1
InChIInChI=1S/C10H17N3O/c1-8(2)10-12-11-7-13(10)9-3-5-14-6-4-9/h7-9H,3-6H2,1-2H3
InChIKeySRKIQBIRVDVRIV-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
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-Propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazole
CID 103213654
3-[2-(2,2-Difluoroethoxy)ethyl]-4-propan-2-yl-1,2,4-triazole
CID 103213655
4-(2-Methylpropyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazole
CID 103213671
3-[2-(2,2-Difluoroethoxy)ethyl]-4-(2-methylpropyl)-1,2,4-triazole
CID 103213672
5-Tert-butyl-1-(oxan-4-yl)-1,2,4-triazole
CID 59129104
3-Tert-butyl-5-(oxan-4-yl)-4-propan-2-yl-1,2,4-triazole
CID 59485489

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yl)-3-propan-2-yl-1,2,4-triazole?
The IUPAC name of 4-(oxan-4-yl)-3-propan-2-yl-1,2,4-triazole (CID 146430980) is 4-(oxan-4-yl)-3-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 4-(oxan-4-yl)-3-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 4-(oxan-4-yl)-3-propan-2-yl-1,2,4-triazole is CC(C)c1nncn1C1CCOCC1.
What is the InChIKey of 4-(oxan-4-yl)-3-propan-2-yl-1,2,4-triazole?
The InChIKey is SRKIQBIRVDVRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(2)10-12-11-7-13(10)9-3-5-14-6-4-9/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-(oxan-4-yl)-3-propan-2-yl-1,2,4-triazole?
4-(oxan-4-yl)-3-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 4-(oxan-4-yl)-3-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 146430980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).