1-(4-methyl-1,2,4-triazol-3-yl)ethanamine

C5H10N4 — CID 16766592

IUPAC1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCC(N)c1nncn1C
InChIInChI=1S/C5H10N4/c1-4(6)5-8-7-3-9(5)2/h3-4H,6H2,1-2H3
InChIKeyDAVBTDJVFQZWRO-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.17
Rot. Bonds1

About 1-(4-methyl-1,2,4-triazol-3-yl)ethanamine

1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 16766592) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-(4-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID16766592
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCC(N)c1nncn1C
InChIInChI=1S/C5H10N4/c1-4(6)5-8-7-3-9(5)2/h3-4H,6H2,1-2H3
InChIKeyDAVBTDJVFQZWRO-UHFFFAOYSA-N
XLogP-0.17
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (CID 16766592) is 1-(4-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-(4-methyl-1,2,4-triazol-3-yl)ethanamine is CC(N)c1nncn1C.
What is the InChIKey of 1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is DAVBTDJVFQZWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-4(6)5-8-7-3-9(5)2/h3-4H,6H2,1-2H3.
What are the key properties of 1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
1-(4-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 126.16 g/mol, XLogP of -0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 16766592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).