ethane;5-methoxy-1H-1,2,4-triazole

C5H11N3O — CID 143372875

IUPACethane;5-methoxy-1H-1,2,4-triazole
SMILESCC.COc1ncn[nH]1
InChIInChI=1S/C3H5N3O.C2H6/c1-7-3-4-2-5-6-3;1-2/h2H,1H3,(H,4,5,6);1-2H3
InChIKeySMTIQFHIQDPCTA-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.84
Rot. Bonds1

About ethane;5-methoxy-1H-1,2,4-triazole

ethane;5-methoxy-1H-1,2,4-triazole (PubChem CID 143372875) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is ethane;5-methoxy-1H-1,2,4-triazole.

Molecular Properties

Compound Nameethane;5-methoxy-1H-1,2,4-triazole
PubChem CID143372875
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Nameethane;5-methoxy-1H-1,2,4-triazole
SMILESCC.COc1ncn[nH]1
InChIInChI=1S/C3H5N3O.C2H6/c1-7-3-4-2-5-6-3;1-2/h2H,1H3,(H,4,5,6);1-2H3
InChIKeySMTIQFHIQDPCTA-UHFFFAOYSA-N
XLogP0.84
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methylsulfanyloxy-1H-1,2,4-triazole
CID 121329843
5-heptoxy-1H-1,2,4-triazole
CID 67915767
hydroxy-methoxy-(1H-1,2,4-triazol-5-yl)azanium
CID 142371491
5-(2-methoxyethyl)-1H-1,2,4-triazole
CID 58490953
5-(methoxymethylsulfanyl)-1H-1,2,4-triazole
CID 21177764
2-methoxy-1H-imidazole
CID 19348571
N-methyl-1H-1,2,4-triazol-5-amine
CID 566828
5-propan-2-yl-1H-1,2,4-triazole
CID 165097993
5-methylsulfinyl-1H-1,2,4-triazole;molecular hydrogen
CID 143010299
1H-1,2,4-triazol-5-amine
CID 22743754
CID 69093513
CID 69093513
(3,5-13C2,1,2-15N2)1H-1,2,4-triazol-5-amine
CID 71313376

Frequently Asked Questions

What is the IUPAC name of ethane;5-methoxy-1H-1,2,4-triazole?
The IUPAC name of ethane;5-methoxy-1H-1,2,4-triazole (CID 143372875) is ethane;5-methoxy-1H-1,2,4-triazole.
What is the SMILES notation for ethane;5-methoxy-1H-1,2,4-triazole?
The canonical SMILES for ethane;5-methoxy-1H-1,2,4-triazole is CC.COc1ncn[nH]1.
What is the InChIKey of ethane;5-methoxy-1H-1,2,4-triazole?
The InChIKey is SMTIQFHIQDPCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O.C2H6/c1-7-3-4-2-5-6-3;1-2/h2H,1H3,(H,4,5,6);1-2H3.
What are the key properties of ethane;5-methoxy-1H-1,2,4-triazole?
ethane;5-methoxy-1H-1,2,4-triazole has a molecular weight of 129.16 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methoxy-1H-1,2,4-triazole is sourced from PubChem (CID 143372875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).