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

C10H15N5O — CID 106227470

IUPAC1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]propan-1-amine
SMILESCCC(N)c1cn(Cc2cc(C)on2)nn1
InChIInChI=1S/C10H15N5O/c1-3-9(11)10-6-15(14-12-10)5-8-4-7(2)16-13-8/h4,6,9H,3,5,11H2,1-2H3
InChIKeyVVVCKHXSISQLHZ-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.03
Rot. Bonds4

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

1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]propan-1-amine (PubChem CID 106227470) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]propan-1-amine
PubChem CID106227470
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]propan-1-amine
SMILESCCC(N)c1cn(Cc2cc(C)on2)nn1
InChIInChI=1S/C10H15N5O/c1-3-9(11)10-6-15(14-12-10)5-8-4-7(2)16-13-8/h4,6,9H,3,5,11H2,1-2H3
InChIKeyVVVCKHXSISQLHZ-UHFFFAOYSA-N
XLogP1.03
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]propan-1-amine?
The IUPAC name of 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]propan-1-amine (CID 106227470) is 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]propan-1-amine.
What is the SMILES notation for 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]propan-1-amine?
The canonical SMILES for 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]propan-1-amine is CCC(N)c1cn(Cc2cc(C)on2)nn1.
What is the InChIKey of 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]propan-1-amine?
The InChIKey is VVVCKHXSISQLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-3-9(11)10-6-15(14-12-10)5-8-4-7(2)16-13-8/h4,6,9H,3,5,11H2,1-2H3.
What are the key properties of 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]propan-1-amine?
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]propan-1-amine has a molecular weight of 221.26 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]propan-1-amine is sourced from PubChem (CID 106227470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).