ethane;5-ethyl-1-methyl-1,2,4-triazole

C9H21N3 — CID 164877506

IUPACethane;5-ethyl-1-methyl-1,2,4-triazole
SMILESCC.CC.CCc1ncnn1C
InChIInChI=1S/C5H9N3.2C2H6/c1-3-5-6-4-7-8(5)2;2*1-2/h4H,3H2,1-2H3;2*1-2H3
InChIKeyYIQSKWZBQDPZLQ-UHFFFAOYSA-N
MW171.29 g/mol
LogP2.43
Rot. Bonds1

About ethane;5-ethyl-1-methyl-1,2,4-triazole

ethane;5-ethyl-1-methyl-1,2,4-triazole (PubChem CID 164877506) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is ethane;5-ethyl-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Nameethane;5-ethyl-1-methyl-1,2,4-triazole
PubChem CID164877506
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Nameethane;5-ethyl-1-methyl-1,2,4-triazole
SMILESCC.CC.CCc1ncnn1C
InChIInChI=1S/C5H9N3.2C2H6/c1-3-5-6-4-7-8(5)2;2*1-2/h4H,3H2,1-2H3;2*1-2H3
InChIKeyYIQSKWZBQDPZLQ-UHFFFAOYSA-N
XLogP2.43
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(bromomethyl)butyl]-1-methyl-1,2,4-triazole
CID 66043454
5-[2-(bromomethyl)-2-methylbutyl]-1-methyl-1,2,4-triazole
CID 66049188
2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 64673278
1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine
CID 66025326
3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 104997860
1-(2-methyl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine
CID 104997891
N-[(2-methyl-1,2,4-triazol-3-yl)methyl]heptan-4-amine
CID 115677442
2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenol
CID 115017760
4-iodo-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 106844460
2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol
CID 115773269
3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one
CID 114980061
1-chloro-1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 112575167

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-1-methyl-1,2,4-triazole?
The IUPAC name of ethane;5-ethyl-1-methyl-1,2,4-triazole (CID 164877506) is ethane;5-ethyl-1-methyl-1,2,4-triazole.
What is the SMILES notation for ethane;5-ethyl-1-methyl-1,2,4-triazole?
The canonical SMILES for ethane;5-ethyl-1-methyl-1,2,4-triazole is CC.CC.CCc1ncnn1C.
What is the InChIKey of ethane;5-ethyl-1-methyl-1,2,4-triazole?
The InChIKey is YIQSKWZBQDPZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.2C2H6/c1-3-5-6-4-7-8(5)2;2*1-2/h4H,3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;5-ethyl-1-methyl-1,2,4-triazole?
ethane;5-ethyl-1-methyl-1,2,4-triazole has a molecular weight of 171.29 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-1-methyl-1,2,4-triazole is sourced from PubChem (CID 164877506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).