1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine

C10H15N5O — CID 106371701

IUPAC1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCCn1ncnc1CNCc1ncc(C)o1
InChIInChI=1S/C10H15N5O/c1-3-15-9(13-7-14-15)5-11-6-10-12-4-8(2)16-10/h4,7,11H,3,5-6H2,1-2H3
InChIKeyXJHDHVLGYVYSIJ-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.88
Rot. Bonds5

About 1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine

1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 106371701) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID106371701
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCCn1ncnc1CNCc1ncc(C)o1
InChIInChI=1S/C10H15N5O/c1-3-15-9(13-7-14-15)5-11-6-10-12-4-8(2)16-10/h4,7,11H,3,5-6H2,1-2H3
InChIKeyXJHDHVLGYVYSIJ-UHFFFAOYSA-N
XLogP0.88
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine (CID 106371701) is 1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine is CCn1ncnc1CNCc1ncc(C)o1.
What is the InChIKey of 1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is XJHDHVLGYVYSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-3-15-9(13-7-14-15)5-11-6-10-12-4-8(2)16-10/h4,7,11H,3,5-6H2,1-2H3.
What are the key properties of 1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 221.26 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 106371701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).