3-butan-2-yl-1,5-dimethyl-1,2,4-triazole;ethane

C10H21N3 — CID 177331117

IUPAC3-butan-2-yl-1,5-dimethyl-1,2,4-triazole;ethane
SMILESCC.CCC(C)c1nc(C)n(C)n1
InChIInChI=1S/C8H15N3.C2H6/c1-5-6(2)8-9-7(3)11(4)10-8;1-2/h6H,5H2,1-4H3;1-2H3
InChIKeyQEDVTIKQOHYVLQ-UHFFFAOYSA-N
MW183.30 g/mol
LogP2.66
Rot. Bonds2

About 3-butan-2-yl-1,5-dimethyl-1,2,4-triazole;ethane

3-butan-2-yl-1,5-dimethyl-1,2,4-triazole;ethane (PubChem CID 177331117) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 3-butan-2-yl-1,5-dimethyl-1,2,4-triazole;ethane.

Molecular Properties

Compound Name3-butan-2-yl-1,5-dimethyl-1,2,4-triazole;ethane
PubChem CID177331117
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name3-butan-2-yl-1,5-dimethyl-1,2,4-triazole;ethane
SMILESCC.CCC(C)c1nc(C)n(C)n1
InChIInChI=1S/C8H15N3.C2H6/c1-5-6(2)8-9-7(3)11(4)10-8;1-2/h6H,5H2,1-4H3;1-2H3
InChIKeyQEDVTIKQOHYVLQ-UHFFFAOYSA-N
XLogP2.66
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethoxymethyl)-1,5-dimethyl-1,2,4-triazole
CID 162786607
3,5-di(butan-2-yl)-1,4-dimethylpyrazole;propane
CID 144532911
5-ethyl-1-methyl-3-propan-2-yl-1,2,4-triazole
CID 139572411
1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;ethane
CID 145338154
(R)-(3,4-dimethoxyphenyl)-(1,5-dimethyl-1,2,4-triazol-3-yl)methanamine
CID 97287702
(S)-(3,4-dimethoxyphenyl)-(1,5-dimethyl-1,2,4-triazol-3-yl)methanamine
CID 97287703
3-[(2R)-butan-2-yl]-5-chloro-1-(4-fluorophenyl)-1,2,4-triazole
CID 30032539
2-butan-2-yl-4-chloro-6-methylpyrimidine
CID 62313063
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-ol
CID 63719467
1-butan-2-yl-3,5-dimethyl-1,2,4-triazole
CID 58381615
3-butan-2-yl-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63716823
5-butan-2-yl-2-methyl-3-propan-2-ylimidazol-4-amine
CID 62226713

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1,5-dimethyl-1,2,4-triazole;ethane?
The IUPAC name of 3-butan-2-yl-1,5-dimethyl-1,2,4-triazole;ethane (CID 177331117) is 3-butan-2-yl-1,5-dimethyl-1,2,4-triazole;ethane.
What is the SMILES notation for 3-butan-2-yl-1,5-dimethyl-1,2,4-triazole;ethane?
The canonical SMILES for 3-butan-2-yl-1,5-dimethyl-1,2,4-triazole;ethane is CC.CCC(C)c1nc(C)n(C)n1.
What is the InChIKey of 3-butan-2-yl-1,5-dimethyl-1,2,4-triazole;ethane?
The InChIKey is QEDVTIKQOHYVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3.C2H6/c1-5-6(2)8-9-7(3)11(4)10-8;1-2/h6H,5H2,1-4H3;1-2H3.
What are the key properties of 3-butan-2-yl-1,5-dimethyl-1,2,4-triazole;ethane?
3-butan-2-yl-1,5-dimethyl-1,2,4-triazole;ethane has a molecular weight of 183.30 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1,5-dimethyl-1,2,4-triazole;ethane is sourced from PubChem (CID 177331117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).