1-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-2-ol

C9H18N4O2 — CID 106246462

IUPAC1-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-2-ol
SMILESCOCC(O)CCNCc1ncnn1C
InChIInChI=1S/C9H18N4O2/c1-13-9(11-7-12-13)5-10-4-3-8(14)6-15-2/h7-8,10,14H,3-6H2,1-2H3
InChIKeyTXOAGMZBDBKXOU-UHFFFAOYSA-N
MW214.27 g/mol
LogP-0.70
Rot. Bonds7

About 1-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-2-ol

1-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-2-ol (PubChem CID 106246462) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-2-ol.

Molecular Properties

Compound Name1-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-2-ol
PubChem CID106246462
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name1-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-2-ol
SMILESCOCC(O)CCNCc1ncnn1C
InChIInChI=1S/C9H18N4O2/c1-13-9(11-7-12-13)5-10-4-3-8(14)6-15-2/h7-8,10,14H,3-6H2,1-2H3
InChIKeyTXOAGMZBDBKXOU-UHFFFAOYSA-N
XLogP-0.70
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol
CID 103876204
2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]ethyl carbamate
CID 83211857
5-[(2-methyl-1,2,4-triazol-3-yl)methylamino]pentan-1-ol
CID 107317324
2-methoxy-N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66401488
N-(2-methoxyethoxy)-1-(2-methyl-1,2,4-triazol-3-yl)methanamine
CID 82723136
4-iodo-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 106844460
4-[(1-tert-butylpyrazol-4-yl)methylamino]-1-methoxybutan-2-ol
CID 103876413
1-methoxy-4-[(5-methyl-1H-imidazol-4-yl)methylamino]butan-2-ol
CID 106245176
4-[(5-bromo-2-pyridinyl)methylamino]-1-methoxybutan-2-ol
CID 103876253
3-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102905256
1-methoxy-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-2-ol
CID 103875645
4-[(3-chloro-2-fluorophenyl)methylamino]-1-methoxybutan-2-ol
CID 103876397

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-2-ol?
The IUPAC name of 1-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-2-ol (CID 106246462) is 1-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-2-ol.
What is the SMILES notation for 1-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-2-ol?
The canonical SMILES for 1-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-2-ol is COCC(O)CCNCc1ncnn1C.
What is the InChIKey of 1-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-2-ol?
The InChIKey is TXOAGMZBDBKXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-13-9(11-7-12-13)5-10-4-3-8(14)6-15-2/h7-8,10,14H,3-6H2,1-2H3.
What are the key properties of 1-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-2-ol?
1-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-2-ol has a molecular weight of 214.27 g/mol, XLogP of -0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-2-ol is sourced from PubChem (CID 106246462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).