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

C7H17N3 — CID 90745402

IUPACethane;1-methyl-1,2,4-triazole
SMILESCC.CC.Cn1cncn1
InChIInChI=1S/C3H5N3.2C2H6/c1-6-3-4-2-5-6;2*1-2/h2-3H,1H3;2*1-2H3
InChIKeyQVEUWMIIHPKXIW-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.87
Rot. Bonds

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

ethane;1-methyl-1,2,4-triazole (PubChem CID 90745402) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is ethane;1-methyl-1,2,4-triazole.

Molecular Properties

Compound Nameethane;1-methyl-1,2,4-triazole
PubChem CID90745402
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Nameethane;1-methyl-1,2,4-triazole
SMILESCC.CC.Cn1cncn1
InChIInChI=1S/C3H5N3.2C2H6/c1-6-3-4-2-5-6;2*1-2/h2-3H,1H3;2*1-2H3
InChIKeyQVEUWMIIHPKXIW-UHFFFAOYSA-N
XLogP1.87
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-1,2,4-triazole;N-pentylpentan-1-amine
CID 130421570
methyl (1,3,4,5-tetramethylpyrrol-2-yl) sulfite;1-methyl-1,2,4-triazole
CID 160876110
1,2,4-triazol-1-ylsilane
CID 123696978
1,2,4-triazol-1-yltin(3+)
CID 23046012
1-(3-methylbutan-2-yl)-1,2,4-triazole
CID 58125125
1-(2-fluoroethyl)-1,2,4-triazole
CID 18406854
2-(1,2,4-triazol-1-yl)ethanamine
CID 3039957
1-(3-methylsulfanylpropyl)-1,2,4-triazole
CID 115651022
1-(4,4-dimethylpentyl)-1,2,4-triazole
CID 59119249
1-(2-ethylsulfanylethyl)-1,2,4-triazole
CID 115773467
4-fluoro-1,2-dimethylbenzene;3-(5-fluoropyrimidin-4-yl)butan-2-ol;1-methyl-1,2,4-triazole
CID 143796547
2-(1,2,4-triazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine
CID 50987387

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-1,2,4-triazole?
The IUPAC name of ethane;1-methyl-1,2,4-triazole (CID 90745402) is ethane;1-methyl-1,2,4-triazole.
What is the SMILES notation for ethane;1-methyl-1,2,4-triazole?
The canonical SMILES for ethane;1-methyl-1,2,4-triazole is CC.CC.Cn1cncn1.
What is the InChIKey of ethane;1-methyl-1,2,4-triazole?
The InChIKey is QVEUWMIIHPKXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3.2C2H6/c1-6-3-4-2-5-6;2*1-2/h2-3H,1H3;2*1-2H3.
What are the key properties of ethane;1-methyl-1,2,4-triazole?
ethane;1-methyl-1,2,4-triazole has a molecular weight of 143.23 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-1,2,4-triazole is sourced from PubChem (CID 90745402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).