N-ethylethanamine;1-methyl-1,2,4-triazole

C7H16N4 — CID 130421556

IUPACN-ethylethanamine;1-methyl-1,2,4-triazole
SMILESCCNCC.Cn1cncn1
InChIInChI=1S/C4H11N.C3H5N3/c1-3-5-4-2;1-6-3-4-2-5-6/h5H,3-4H2,1-2H3;2-3H,1H3
InChIKeyGTIKQQZVQTUERR-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.43
Rot. Bonds2

About N-ethylethanamine;1-methyl-1,2,4-triazole

N-ethylethanamine;1-methyl-1,2,4-triazole (PubChem CID 130421556) has the molecular formula C7H16N4 and a molecular weight of 156.23 g/mol. Its IUPAC name is N-ethylethanamine;1-methyl-1,2,4-triazole.

Molecular Properties

Compound NameN-ethylethanamine;1-methyl-1,2,4-triazole
PubChem CID130421556
Molecular FormulaC7H16N4
Molecular Weight156.23 g/mol
Exact Mass156.14
IUPAC NameN-ethylethanamine;1-methyl-1,2,4-triazole
SMILESCCNCC.Cn1cncn1
InChIInChI=1S/C4H11N.C3H5N3/c1-3-5-4-2;1-6-3-4-2-5-6/h5H,3-4H2,1-2H3;2-3H,1H3
InChIKeyGTIKQQZVQTUERR-UHFFFAOYSA-N
XLogP0.43
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;1-methyl-1,2,4-triazole?
The IUPAC name of N-ethylethanamine;1-methyl-1,2,4-triazole (CID 130421556) is N-ethylethanamine;1-methyl-1,2,4-triazole.
What is the SMILES notation for N-ethylethanamine;1-methyl-1,2,4-triazole?
The canonical SMILES for N-ethylethanamine;1-methyl-1,2,4-triazole is CCNCC.Cn1cncn1.
What is the InChIKey of N-ethylethanamine;1-methyl-1,2,4-triazole?
The InChIKey is GTIKQQZVQTUERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C3H5N3/c1-3-5-4-2;1-6-3-4-2-5-6/h5H,3-4H2,1-2H3;2-3H,1H3.
What are the key properties of N-ethylethanamine;1-methyl-1,2,4-triazole?
N-ethylethanamine;1-methyl-1,2,4-triazole has a molecular weight of 156.23 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;1-methyl-1,2,4-triazole is sourced from PubChem (CID 130421556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).