1-methyl-N-(oxan-4-yl)-1,2,4-triazol-3-amine

C8H14N4O — CID 155225297

IUPAC1-methyl-N-(oxan-4-yl)-1,2,4-triazol-3-amine
SMILESCn1cnc(NC2CCOCC2)n1
InChIInChI=1S/C8H14N4O/c1-12-6-9-8(11-12)10-7-2-4-13-5-3-7/h6-7H,2-5H2,1H3,(H,10,11)
InChIKeyIZZVEQPAWSLECG-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.41
Rot. Bonds2

About 1-methyl-N-(oxan-4-yl)-1,2,4-triazol-3-amine

1-methyl-N-(oxan-4-yl)-1,2,4-triazol-3-amine (PubChem CID 155225297) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-methyl-N-(oxan-4-yl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-(oxan-4-yl)-1,2,4-triazol-3-amine
PubChem CID155225297
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name1-methyl-N-(oxan-4-yl)-1,2,4-triazol-3-amine
SMILESCn1cnc(NC2CCOCC2)n1
InChIInChI=1S/C8H14N4O/c1-12-6-9-8(11-12)10-7-2-4-13-5-3-7/h6-7H,2-5H2,1H3,(H,10,11)
InChIKeyIZZVEQPAWSLECG-UHFFFAOYSA-N
XLogP0.41
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(oxan-4-yl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-methyl-N-(oxan-4-yl)-1,2,4-triazol-3-amine (CID 155225297) is 1-methyl-N-(oxan-4-yl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-methyl-N-(oxan-4-yl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-methyl-N-(oxan-4-yl)-1,2,4-triazol-3-amine is Cn1cnc(NC2CCOCC2)n1.
What is the InChIKey of 1-methyl-N-(oxan-4-yl)-1,2,4-triazol-3-amine?
The InChIKey is IZZVEQPAWSLECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-12-6-9-8(11-12)10-7-2-4-13-5-3-7/h6-7H,2-5H2,1H3,(H,10,11).
What are the key properties of 1-methyl-N-(oxan-4-yl)-1,2,4-triazol-3-amine?
1-methyl-N-(oxan-4-yl)-1,2,4-triazol-3-amine has a molecular weight of 182.23 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(oxan-4-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 155225297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).