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

C13H19N5O — CID 77096272

IUPAC1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine
SMILESCCn1ncnc1CN(C)Cc1cc(C2CC2)on1
InChIInChI=1S/C13H19N5O/c1-3-18-13(14-9-15-18)8-17(2)7-11-6-12(19-16-11)10-4-5-10/h6,9-10H,3-5,7-8H2,1-2H3
InChIKeyXCOOTGVWEPPWAI-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.80
Rot. Bonds6

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

1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine (PubChem CID 77096272) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine
PubChem CID77096272
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine
SMILESCCn1ncnc1CN(C)Cc1cc(C2CC2)on1
InChIInChI=1S/C13H19N5O/c1-3-18-13(14-9-15-18)8-17(2)7-11-6-12(19-16-11)10-4-5-10/h6,9-10H,3-5,7-8H2,1-2H3
InChIKeyXCOOTGVWEPPWAI-UHFFFAOYSA-N
XLogP1.80
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine (CID 77096272) is 1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine is CCn1ncnc1CN(C)Cc1cc(C2CC2)on1.
What is the InChIKey of 1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine?
The InChIKey is XCOOTGVWEPPWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-18-13(14-9-15-18)8-17(2)7-11-6-12(19-16-11)10-4-5-10/h6,9-10H,3-5,7-8H2,1-2H3.
What are the key properties of 1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine?
1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine has a molecular weight of 261.33 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 77096272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).