1,3-dimethyl-1,2,4-triazole;ethane

C8H19N3 — CID 142553171

IUPAC1,3-dimethyl-1,2,4-triazole;ethane
SMILESCC.CC.Cc1ncn(C)n1
InChIInChI=1S/C4H7N3.2C2H6/c1-4-5-3-7(2)6-4;2*1-2/h3H,1-2H3;2*1-2H3
InChIKeyPJTLZJJOSOPZKX-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.18
Rot. Bonds

About 1,3-dimethyl-1,2,4-triazole;ethane

1,3-dimethyl-1,2,4-triazole;ethane (PubChem CID 142553171) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is 1,3-dimethyl-1,2,4-triazole;ethane.

Molecular Properties

Compound Name1,3-dimethyl-1,2,4-triazole;ethane
PubChem CID142553171
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name1,3-dimethyl-1,2,4-triazole;ethane
SMILESCC.CC.Cc1ncn(C)n1
InChIInChI=1S/C4H7N3.2C2H6/c1-4-5-3-7(2)6-4;2*1-2/h3H,1-2H3;2*1-2H3
InChIKeyPJTLZJJOSOPZKX-UHFFFAOYSA-N
XLogP2.18
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1,2,4-triazole;ethane?
The IUPAC name of 1,3-dimethyl-1,2,4-triazole;ethane (CID 142553171) is 1,3-dimethyl-1,2,4-triazole;ethane.
What is the SMILES notation for 1,3-dimethyl-1,2,4-triazole;ethane?
The canonical SMILES for 1,3-dimethyl-1,2,4-triazole;ethane is CC.CC.Cc1ncn(C)n1.
What is the InChIKey of 1,3-dimethyl-1,2,4-triazole;ethane?
The InChIKey is PJTLZJJOSOPZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3.2C2H6/c1-4-5-3-7(2)6-4;2*1-2/h3H,1-2H3;2*1-2H3.
What are the key properties of 1,3-dimethyl-1,2,4-triazole;ethane?
1,3-dimethyl-1,2,4-triazole;ethane has a molecular weight of 157.26 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1,2,4-triazole;ethane is sourced from PubChem (CID 142553171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).