N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine

C12H24N4O — CID 113260218

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine
SMILESCCn1cnnc1CNC(C)CC(C)(C)OC
InChIInChI=1S/C12H24N4O/c1-6-16-9-14-15-11(16)8-13-10(2)7-12(3,4)17-5/h9-10,13H,6-8H2,1-5H3
InChIKeyZJRITUJXQRQKEJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.59
Rot. Bonds7

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine (PubChem CID 113260218) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine
PubChem CID113260218
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine
SMILESCCn1cnnc1CNC(C)CC(C)(C)OC
InChIInChI=1S/C12H24N4O/c1-6-16-9-14-15-11(16)8-13-10(2)7-12(3,4)17-5/h9-10,13H,6-8H2,1-5H3
InChIKeyZJRITUJXQRQKEJ-UHFFFAOYSA-N
XLogP1.59
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]octan-2-amine
CID 103777665
methyl 3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methylbutanoate
CID 106302747
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-2-amine
CID 79256368
(2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 97230173
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 103777568
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butan-2-amine
CID 62694664
4,4,4-trifluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]butan-2-amine
CID 103777371
methyl 5-[1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]ethyl]furan-2-carboxylate
CID 106303461
3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile
CID 106302966
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 103729437
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine
CID 103777622
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 106302438

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine (CID 113260218) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine is CCn1cnnc1CNC(C)CC(C)(C)OC.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine?
The InChIKey is ZJRITUJXQRQKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-6-16-9-14-15-11(16)8-13-10(2)7-12(3,4)17-5/h9-10,13H,6-8H2,1-5H3.
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine has a molecular weight of 240.35 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 113260218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).