5-ethyl-N,4-dimethyl-1,2,4-triazol-3-amine

C6H12N4 — CID 55286631

IUPAC5-ethyl-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCCc1nnc(NC)n1C
InChIInChI=1S/C6H12N4/c1-4-5-8-9-6(7-2)10(5)3/h4H2,1-3H3,(H,7,9)
InChIKeyXSQBQQIQRFCTRZ-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.42
Rot. Bonds2

About 5-ethyl-N,4-dimethyl-1,2,4-triazol-3-amine

5-ethyl-N,4-dimethyl-1,2,4-triazol-3-amine (PubChem CID 55286631) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 5-ethyl-N,4-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-ethyl-N,4-dimethyl-1,2,4-triazol-3-amine
PubChem CID55286631
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name5-ethyl-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCCc1nnc(NC)n1C
InChIInChI=1S/C6H12N4/c1-4-5-8-9-6(7-2)10(5)3/h4H2,1-3H3,(H,7,9)
InChIKeyXSQBQQIQRFCTRZ-UHFFFAOYSA-N
XLogP0.42
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,4-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-ethyl-N,4-dimethyl-1,2,4-triazol-3-amine (CID 55286631) is 5-ethyl-N,4-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-ethyl-N,4-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-ethyl-N,4-dimethyl-1,2,4-triazol-3-amine is CCc1nnc(NC)n1C.
What is the InChIKey of 5-ethyl-N,4-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is XSQBQQIQRFCTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-4-5-8-9-6(7-2)10(5)3/h4H2,1-3H3,(H,7,9).
What are the key properties of 5-ethyl-N,4-dimethyl-1,2,4-triazol-3-amine?
5-ethyl-N,4-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 140.19 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,4-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 55286631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).