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

C9H16N4O — CID 130570243

IUPAC2-(oxolan-3-yl)-5-propyl-1,2,4-triazol-3-amine
SMILESCCCc1nc(N)n(C2CCOC2)n1
InChIInChI=1S/C9H16N4O/c1-2-3-8-11-9(10)13(12-8)7-4-5-14-6-7/h7H,2-6H2,1H3,(H2,10,11,12)
InChIKeyFUBXMRWERSOIOA-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.77
Rot. Bonds3

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

2-(oxolan-3-yl)-5-propyl-1,2,4-triazol-3-amine (PubChem CID 130570243) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-5-propyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-(oxolan-3-yl)-5-propyl-1,2,4-triazol-3-amine
PubChem CID130570243
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-(oxolan-3-yl)-5-propyl-1,2,4-triazol-3-amine
SMILESCCCc1nc(N)n(C2CCOC2)n1
InChIInChI=1S/C9H16N4O/c1-2-3-8-11-9(10)13(12-8)7-4-5-14-6-7/h7H,2-6H2,1H3,(H2,10,11,12)
InChIKeyFUBXMRWERSOIOA-UHFFFAOYSA-N
XLogP0.77
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-5-propyl-1,2,4-triazol-3-amine?
The IUPAC name of 2-(oxolan-3-yl)-5-propyl-1,2,4-triazol-3-amine (CID 130570243) is 2-(oxolan-3-yl)-5-propyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-(oxolan-3-yl)-5-propyl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-(oxolan-3-yl)-5-propyl-1,2,4-triazol-3-amine is CCCc1nc(N)n(C2CCOC2)n1.
What is the InChIKey of 2-(oxolan-3-yl)-5-propyl-1,2,4-triazol-3-amine?
The InChIKey is FUBXMRWERSOIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-2-3-8-11-9(10)13(12-8)7-4-5-14-6-7/h7H,2-6H2,1H3,(H2,10,11,12).
What are the key properties of 2-(oxolan-3-yl)-5-propyl-1,2,4-triazol-3-amine?
2-(oxolan-3-yl)-5-propyl-1,2,4-triazol-3-amine has a molecular weight of 196.25 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-5-propyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 130570243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).