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

C8H16N4O — CID 106598275

IUPACN-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]ethyl]propan-2-amine
SMILESCC(C)NCCOc1ncn(C)n1
InChIInChI=1S/C8H16N4O/c1-7(2)9-4-5-13-8-10-6-12(3)11-8/h6-7,9H,4-5H2,1-3H3
InChIKeyAOJLRNIOWAITSZ-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.19
Rot. Bonds5

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

N-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]ethyl]propan-2-amine (PubChem CID 106598275) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is N-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]ethyl]propan-2-amine
PubChem CID106598275
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC NameN-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]ethyl]propan-2-amine
SMILESCC(C)NCCOc1ncn(C)n1
InChIInChI=1S/C8H16N4O/c1-7(2)9-4-5-13-8-10-6-12(3)11-8/h6-7,9H,4-5H2,1-3H3
InChIKeyAOJLRNIOWAITSZ-UHFFFAOYSA-N
XLogP0.19
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propan-2-ylpropan-1-amine
CID 106598202
N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pentan-1-amine
CID 106598130
2,4-dimethyl-6-[2-(propan-2-ylamino)ethoxy]-1,2,4-triazine-3,5-dione
CID 62348985
N-[1-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]ethyl]propan-1-amine
CID 106597435
2-[2-(propan-2-ylamino)ethoxy]pyrimidine-4-carbonitrile
CID 107553105
N-propan-2-yl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]propan-1-amine
CID 64771673
N-[2-(4-methylphenoxy)ethyl]propan-2-amine
CID 17178065
2-methyl-N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine
CID 106598278
3-(4-methoxypyrimidin-2-yl)oxy-N-propan-2-ylpropan-1-amine
CID 62348019
N-(2-propan-2-yloxyethyl)propan-2-amine
CID 21034307
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 80689548
4-(2,5-dimethylpyrazol-3-yl)oxy-N-propan-2-ylbutan-1-amine
CID 81345697

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]ethyl]propan-2-amine (CID 106598275) is N-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]ethyl]propan-2-amine is CC(C)NCCOc1ncn(C)n1.
What is the InChIKey of N-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]ethyl]propan-2-amine?
The InChIKey is AOJLRNIOWAITSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-7(2)9-4-5-13-8-10-6-12(3)11-8/h6-7,9H,4-5H2,1-3H3.
What are the key properties of N-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]ethyl]propan-2-amine?
N-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]ethyl]propan-2-amine has a molecular weight of 184.24 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]ethyl]propan-2-amine is sourced from PubChem (CID 106598275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).