2-ethyl-5-[3-[(1S)-1-methoxyethyl]phenyl]-N,N-dimethyl-1,2,4-triazol-3-amine

C15H22N4O — CID 97435440

IUPAC2-ethyl-5-[3-[(1S)-1-methoxyethyl]phenyl]-N,N-dimethyl-1,2,4-triazol-3-amine
SMILESCCn1nc(-c2cccc([C@H](C)OC)c2)nc1N(C)C
InChIInChI=1S/C15H22N4O/c1-6-19-15(18(3)4)16-14(17-19)13-9-7-8-12(10-13)11(2)20-5/h7-11H,6H2,1-5H3/t11-/m0/s1
InChIKeyTVBVOKGJJWINAO-NSHDSACASA-N
MW274.37 g/mol
LogP2.74
Rot. Bonds5

About 2-ethyl-5-[3-[(1S)-1-methoxyethyl]phenyl]-N,N-dimethyl-1,2,4-triazol-3-amine

2-ethyl-5-[3-[(1S)-1-methoxyethyl]phenyl]-N,N-dimethyl-1,2,4-triazol-3-amine (PubChem CID 97435440) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-ethyl-5-[3-[(1S)-1-methoxyethyl]phenyl]-N,N-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-ethyl-5-[3-[(1S)-1-methoxyethyl]phenyl]-N,N-dimethyl-1,2,4-triazol-3-amine
PubChem CID97435440
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-ethyl-5-[3-[(1S)-1-methoxyethyl]phenyl]-N,N-dimethyl-1,2,4-triazol-3-amine
SMILESCCn1nc(-c2cccc([C@H](C)OC)c2)nc1N(C)C
InChIInChI=1S/C15H22N4O/c1-6-19-15(18(3)4)16-14(17-19)13-9-7-8-12(10-13)11(2)20-5/h7-11H,6H2,1-5H3/t11-/m0/s1
InChIKeyTVBVOKGJJWINAO-NSHDSACASA-N
XLogP2.74
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[3-[(1S)-1-methoxyethyl]phenyl]-N,N-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 2-ethyl-5-[3-[(1S)-1-methoxyethyl]phenyl]-N,N-dimethyl-1,2,4-triazol-3-amine (CID 97435440) is 2-ethyl-5-[3-[(1S)-1-methoxyethyl]phenyl]-N,N-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-ethyl-5-[3-[(1S)-1-methoxyethyl]phenyl]-N,N-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-ethyl-5-[3-[(1S)-1-methoxyethyl]phenyl]-N,N-dimethyl-1,2,4-triazol-3-amine is CCn1nc(-c2cccc([C@H](C)OC)c2)nc1N(C)C.
What is the InChIKey of 2-ethyl-5-[3-[(1S)-1-methoxyethyl]phenyl]-N,N-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is TVBVOKGJJWINAO-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N4O/c1-6-19-15(18(3)4)16-14(17-19)13-9-7-8-12(10-13)11(2)20-5/h7-11H,6H2,1-5H3/t11-/m0/s1.
What are the key properties of 2-ethyl-5-[3-[(1S)-1-methoxyethyl]phenyl]-N,N-dimethyl-1,2,4-triazol-3-amine?
2-ethyl-5-[3-[(1S)-1-methoxyethyl]phenyl]-N,N-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 274.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[3-[(1S)-1-methoxyethyl]phenyl]-N,N-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 97435440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).