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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Related Compounds

3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-amine
CID 63558947
3-ethyl-1-(oxolan-3-yl)-5-(2-thiophen-3-ylethyl)-1,2,4-triazole
CID 138382681
4-methyl-5-[2-(oxolan-3-yl)-5-pentyl-1,2,4-triazol-3-yl]-2-pyridin-3-ylpyrimidine
CID 138387199
3-methyl-5-(oxan-3-yl)-2-propylimidazol-4-amine
CID 63737711
ethyl 5-amino-1-(oxolan-3-yl)pyrazole-3-carboxylate
CID 112707165
3-[3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-yl]propan-1-ol
CID 105482134
2-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-thione
CID 130570235
5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-amine
CID 167555491
4-(1,4-dioxan-2-yl)-6-propyl-1,3,5-triazin-2-amine
CID 65356930
3,5-dimethyl-1-(oxan-3-yl)pyrazol-4-amine
CID 107134649
2-butyl-5-propyl-1,2,4-triazol-3-amine
CID 62677531
N-ethyl-4-methyl-1-(oxolan-3-yl)imidazol-2-amine
CID 106577274

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).