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

C6H10N4O — CID 61278114

IUPAC5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(C2CCOC2)n1
InChIInChI=1S/C6H10N4O/c7-6-8-5(9-10-6)4-1-2-11-3-4/h4H,1-3H2,(H3,7,8,9,10)
InChIKeyGAUDBKIUQIVKTB-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.11
Rot. Bonds1

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

5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 61278114) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine
PubChem CID61278114
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(C2CCOC2)n1
InChIInChI=1S/C6H10N4O/c7-6-8-5(9-10-6)4-1-2-11-3-4/h4H,1-3H2,(H3,7,8,9,10)
InChIKeyGAUDBKIUQIVKTB-UHFFFAOYSA-N
XLogP-0.11
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine (CID 61278114) is 5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(C2CCOC2)n1.
What is the InChIKey of 5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is GAUDBKIUQIVKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c7-6-8-5(9-10-6)4-1-2-11-3-4/h4H,1-3H2,(H3,7,8,9,10).
What are the key properties of 5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine?
5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 154.17 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 61278114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).