5-(oxan-4-yl)-1H-1,2,4-triazol-3-amine

C7H12N4O — CID 62907564

IUPAC5-(oxan-4-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(C2CCOCC2)n1
InChIInChI=1S/C7H12N4O/c8-7-9-6(10-11-7)5-1-3-12-4-2-5/h5H,1-4H2,(H3,8,9,10,11)
InChIKeyFKOYPMDLOFWJSA-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.28
Rot. Bonds1

About 5-(oxan-4-yl)-1H-1,2,4-triazol-3-amine

5-(oxan-4-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 62907564) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-(oxan-4-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(oxan-4-yl)-1H-1,2,4-triazol-3-amine
PubChem CID62907564
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name5-(oxan-4-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(C2CCOCC2)n1
InChIInChI=1S/C7H12N4O/c8-7-9-6(10-11-7)5-1-3-12-4-2-5/h5H,1-4H2,(H3,8,9,10,11)
InChIKeyFKOYPMDLOFWJSA-UHFFFAOYSA-N
XLogP0.28
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(oxan-4-yl)-1H-1,2,4-triazol-3-amine (CID 62907564) is 5-(oxan-4-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(oxan-4-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(oxan-4-yl)-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(C2CCOCC2)n1.
What is the InChIKey of 5-(oxan-4-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is FKOYPMDLOFWJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c8-7-9-6(10-11-7)5-1-3-12-4-2-5/h5H,1-4H2,(H3,8,9,10,11).
What are the key properties of 5-(oxan-4-yl)-1H-1,2,4-triazol-3-amine?
5-(oxan-4-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 168.20 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 62907564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).