3-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]propan-1-amine

C9H13N5O — CID 106220716

IUPAC3-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]propan-1-amine
SMILESNCCCc1cn(Cc2ccno2)nn1
InChIInChI=1S/C9H13N5O/c10-4-1-2-8-6-14(13-12-8)7-9-3-5-11-15-9/h3,5-6H,1-2,4,7,10H2
InChIKeyPBIBGWQXKWTOQJ-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.21
Rot. Bonds5

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

3-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]propan-1-amine (PubChem CID 106220716) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 3-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]propan-1-amine
PubChem CID106220716
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name3-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]propan-1-amine
SMILESNCCCc1cn(Cc2ccno2)nn1
InChIInChI=1S/C9H13N5O/c10-4-1-2-8-6-14(13-12-8)7-9-3-5-11-15-9/h3,5-6H,1-2,4,7,10H2
InChIKeyPBIBGWQXKWTOQJ-UHFFFAOYSA-N
XLogP0.21
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]triazol-4-yl]propan-1-amine
CID 106220856
3-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]propan-1-amine
CID 106221711
4-[1-[(5-methylfuran-2-yl)methyl]triazol-4-yl]butan-1-amine
CID 104539378
5-[[4-(3-aminopropyl)triazol-1-yl]methyl]benzene-1,2,3-triol
CID 130446104
3-[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]propan-1-amine
CID 114160081
3-[1-(pyrazin-2-ylmethyl)triazol-4-yl]propan-1-amine
CID 106221632
3-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-amine
CID 106221077
3-[1-[(4-bromo-2-fluorophenyl)methyl]triazol-4-yl]propan-1-amine
CID 106220841
3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-amine
CID 106220931
1-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]ethanol
CID 81443828
3-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine
CID 106221374
3-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine
CID 106220698

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]propan-1-amine?
The IUPAC name of 3-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]propan-1-amine (CID 106220716) is 3-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]propan-1-amine is NCCCc1cn(Cc2ccno2)nn1.
What is the InChIKey of 3-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]propan-1-amine?
The InChIKey is PBIBGWQXKWTOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c10-4-1-2-8-6-14(13-12-8)7-9-3-5-11-15-9/h3,5-6H,1-2,4,7,10H2.
What are the key properties of 3-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]propan-1-amine?
3-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]propan-1-amine has a molecular weight of 207.24 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]propan-1-amine is sourced from PubChem (CID 106220716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).