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

C10H18N4O — CID 65333477

IUPAC3-[3-(oxan-3-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine
SMILESNCCCc1nc(C2CCCOC2)n[nH]1
InChIInChI=1S/C10H18N4O/c11-5-1-4-9-12-10(14-13-9)8-3-2-6-15-7-8/h8H,1-7,11H2,(H,12,13,14)
InChIKeyHAVAWTWMECFNSD-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.59
Rot. Bonds4

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

3-[3-(oxan-3-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine (PubChem CID 65333477) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[3-(oxan-3-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(oxan-3-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine
PubChem CID65333477
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-[3-(oxan-3-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine
SMILESNCCCc1nc(C2CCCOC2)n[nH]1
InChIInChI=1S/C10H18N4O/c11-5-1-4-9-12-10(14-13-9)8-3-2-6-15-7-8/h8H,1-7,11H2,(H,12,13,14)
InChIKeyHAVAWTWMECFNSD-UHFFFAOYSA-N
XLogP0.59
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[(3S)-oxolan-3-yl]-1H-1,2,4-triazol-5-yl]propan-1-amine
CID 124509391
3-[3-(thian-3-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine
CID 115035822
3-[3-(1,1-dioxothiolan-3-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine
CID 115337453
3-[3-(2,2-dimethylcyclopropyl)-1H-1,2,4-triazol-5-yl]propan-1-amine
CID 107925887
5-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)pentanoic acid
CID 61345746
2-[2-(oxan-3-yl)pyrimidin-5-yl]ethanamine
CID 65333628
3-cyclohexyl-5-nonyl-1H-1,2,4-triazole
CID 65427882
5-(oxan-3-yl)-2H-tetrazole
CID 65335001
3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropan-1-amine
CID 61338736
3-(5-propyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 63044245
2-methyl-1-[2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethyl]indole
CID 74230614
(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methanol
CID 61338898

Frequently Asked Questions

What is the IUPAC name of 3-[3-(oxan-3-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine?
The IUPAC name of 3-[3-(oxan-3-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine (CID 65333477) is 3-[3-(oxan-3-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[3-(oxan-3-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[3-(oxan-3-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine is NCCCc1nc(C2CCCOC2)n[nH]1.
What is the InChIKey of 3-[3-(oxan-3-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine?
The InChIKey is HAVAWTWMECFNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c11-5-1-4-9-12-10(14-13-9)8-3-2-6-15-7-8/h8H,1-7,11H2,(H,12,13,14).
What are the key properties of 3-[3-(oxan-3-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine?
3-[3-(oxan-3-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine has a molecular weight of 210.28 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(oxan-3-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine is sourced from PubChem (CID 65333477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).