N-ethyl-2-methyl-1,2,4-triazol-3-amine

C5H10N4 — CID 20714760

IUPACN-ethyl-2-methyl-1,2,4-triazol-3-amine
SMILESCCNc1ncnn1C
InChIInChI=1S/C5H10N4/c1-3-6-5-7-4-8-9(5)2/h4H,3H2,1-2H3,(H,6,7,8)
InChIKeyUBVQOOUMULJJQD-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.25
Rot. Bonds2

About N-ethyl-2-methyl-1,2,4-triazol-3-amine

N-ethyl-2-methyl-1,2,4-triazol-3-amine (PubChem CID 20714760) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is N-ethyl-2-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1,2,4-triazol-3-amine
PubChem CID20714760
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC NameN-ethyl-2-methyl-1,2,4-triazol-3-amine
SMILESCCNc1ncnn1C
InChIInChI=1S/C5H10N4/c1-3-6-5-7-4-8-9(5)2/h4H,3H2,1-2H3,(H,6,7,8)
InChIKeyUBVQOOUMULJJQD-UHFFFAOYSA-N
XLogP0.25
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1,2,4-triazol-3-amine?
The IUPAC name of N-ethyl-2-methyl-1,2,4-triazol-3-amine (CID 20714760) is N-ethyl-2-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for N-ethyl-2-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for N-ethyl-2-methyl-1,2,4-triazol-3-amine is CCNc1ncnn1C.
What is the InChIKey of N-ethyl-2-methyl-1,2,4-triazol-3-amine?
The InChIKey is UBVQOOUMULJJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-3-6-5-7-4-8-9(5)2/h4H,3H2,1-2H3,(H,6,7,8).
What are the key properties of N-ethyl-2-methyl-1,2,4-triazol-3-amine?
N-ethyl-2-methyl-1,2,4-triazol-3-amine has a molecular weight of 126.16 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 20714760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).