3-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-amine

C9H14N6O — CID 106221077

IUPAC3-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-amine
SMILESCc1nnc(Cn2cc(CCCN)nn2)o1
InChIInChI=1S/C9H14N6O/c1-7-11-13-9(16-7)6-15-5-8(12-14-15)3-2-4-10/h5H,2-4,6,10H2,1H3
InChIKeyZMRCTPFATOAXFR-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.09
Rot. Bonds5

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

3-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-amine (PubChem CID 106221077) has the molecular formula C9H14N6O and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-amine
PubChem CID106221077
Molecular FormulaC9H14N6O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name3-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-amine
SMILESCc1nnc(Cn2cc(CCCN)nn2)o1
InChIInChI=1S/C9H14N6O/c1-7-11-13-9(16-7)6-15-5-8(12-14-15)3-2-4-10/h5H,2-4,6,10H2,1H3
InChIKeyZMRCTPFATOAXFR-UHFFFAOYSA-N
XLogP-0.09
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]propan-1-amine
CID 114160081
2-[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine
CID 116641871
3-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]triazol-4-yl]propan-1-amine
CID 106220856
4-[1-[(5-methylfuran-2-yl)methyl]triazol-4-yl]butan-1-amine
CID 104539378
3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-amine
CID 106220931
3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-ol
CID 113374523
5-[[4-(3-aminopropyl)triazol-1-yl]methyl]benzene-1,2,3-triol
CID 130446104
2-[(4-tert-butyltriazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
CID 151115494
2-[1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine
CID 116641747
3-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]propan-1-amine
CID 106220716
3-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]propan-1-amine
CID 106221711
3-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]triazol-4-yl]propan-1-amine
CID 106220784

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-amine?
The IUPAC name of 3-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-amine (CID 106221077) is 3-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-amine is Cc1nnc(Cn2cc(CCCN)nn2)o1.
What is the InChIKey of 3-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-amine?
The InChIKey is ZMRCTPFATOAXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O/c1-7-11-13-9(16-7)6-15-5-8(12-14-15)3-2-4-10/h5H,2-4,6,10H2,1H3.
What are the key properties of 3-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-amine?
3-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-amine has a molecular weight of 222.25 g/mol, XLogP of -0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-amine is sourced from PubChem (CID 106221077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).