3,5-bis(2-methoxyethyl)-1,2,4-triazol-4-amine

C8H16N4O2 — CID 542599

IUPAC3,5-bis(2-methoxyethyl)-1,2,4-triazol-4-amine
SMILESCOCCc1nnc(CCOC)n1N
InChIInChI=1S/C8H16N4O2/c1-13-5-3-7-10-11-8(12(7)9)4-6-14-2/h3-6,9H2,1-2H3
InChIKeyWLYLBTIHKVYGBD-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.63
Rot. Bonds6

About 3,5-bis(2-methoxyethyl)-1,2,4-triazol-4-amine

3,5-bis(2-methoxyethyl)-1,2,4-triazol-4-amine (PubChem CID 542599) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3,5-bis(2-methoxyethyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3,5-bis(2-methoxyethyl)-1,2,4-triazol-4-amine
PubChem CID542599
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name3,5-bis(2-methoxyethyl)-1,2,4-triazol-4-amine
SMILESCOCCc1nnc(CCOC)n1N
InChIInChI=1S/C8H16N4O2/c1-13-5-3-7-10-11-8(12(7)9)4-6-14-2/h3-6,9H2,1-2H3
InChIKeyWLYLBTIHKVYGBD-UHFFFAOYSA-N
XLogP-0.63
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-methoxyethyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3,5-bis(2-methoxyethyl)-1,2,4-triazol-4-amine (CID 542599) is 3,5-bis(2-methoxyethyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3,5-bis(2-methoxyethyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3,5-bis(2-methoxyethyl)-1,2,4-triazol-4-amine is COCCc1nnc(CCOC)n1N.
What is the InChIKey of 3,5-bis(2-methoxyethyl)-1,2,4-triazol-4-amine?
The InChIKey is WLYLBTIHKVYGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-13-5-3-7-10-11-8(12(7)9)4-6-14-2/h3-6,9H2,1-2H3.
What are the key properties of 3,5-bis(2-methoxyethyl)-1,2,4-triazol-4-amine?
3,5-bis(2-methoxyethyl)-1,2,4-triazol-4-amine has a molecular weight of 200.24 g/mol, XLogP of -0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-methoxyethyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 542599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).