1-methoxy-3-[4-(propylaminomethyl)triazol-1-yl]propan-2-ol

C10H20N4O2 — CID 66191790

IUPAC1-methoxy-3-[4-(propylaminomethyl)triazol-1-yl]propan-2-ol
SMILESCCCNCc1cn(CC(O)COC)nn1
InChIInChI=1S/C10H20N4O2/c1-3-4-11-5-9-6-14(13-12-9)7-10(15)8-16-2/h6,10-11,15H,3-5,7-8H2,1-2H3
InChIKeyKOAYMYWQMKYZPD-UHFFFAOYSA-N
MW228.30 g/mol
LogP-0.22
Rot. Bonds8

About 1-methoxy-3-[4-(propylaminomethyl)triazol-1-yl]propan-2-ol

1-methoxy-3-[4-(propylaminomethyl)triazol-1-yl]propan-2-ol (PubChem CID 66191790) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-methoxy-3-[4-(propylaminomethyl)triazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[4-(propylaminomethyl)triazol-1-yl]propan-2-ol
PubChem CID66191790
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name1-methoxy-3-[4-(propylaminomethyl)triazol-1-yl]propan-2-ol
SMILESCCCNCc1cn(CC(O)COC)nn1
InChIInChI=1S/C10H20N4O2/c1-3-4-11-5-9-6-14(13-12-9)7-10(15)8-16-2/h6,10-11,15H,3-5,7-8H2,1-2H3
InChIKeyKOAYMYWQMKYZPD-UHFFFAOYSA-N
XLogP-0.22
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-0.22
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-butoxy-3-[4-(propylaminomethyl)triazol-1-yl]propan-2-ol
CID 107264375
1-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106993138
N-[[1-(2-ethylbutyl)triazol-4-yl]methyl]propan-1-amine
CID 82931017
N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 106449883
N-[(1-pentyltriazol-4-yl)methyl]propan-1-amine
CID 66194122
N-[(1-heptyltriazol-4-yl)methyl]-2-methoxyethanamine
CID 66192486
N-butyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]acetamide
CID 66205021
3-[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]propane-1,2-diol
CID 82843982
N-[[1-(2-ethylsulfonylethyl)triazol-4-yl]methyl]propan-1-amine
CID 66194117
N-[[1-(3-phenoxypropyl)triazol-4-yl]methyl]propan-1-amine
CID 66192386
N-[[1-[2-[2-(diethylamino)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62458984
N-ethyl-N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]acetamide
CID 66194702

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[4-(propylaminomethyl)triazol-1-yl]propan-2-ol?
The IUPAC name of 1-methoxy-3-[4-(propylaminomethyl)triazol-1-yl]propan-2-ol (CID 66191790) is 1-methoxy-3-[4-(propylaminomethyl)triazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[4-(propylaminomethyl)triazol-1-yl]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[4-(propylaminomethyl)triazol-1-yl]propan-2-ol is CCCNCc1cn(CC(O)COC)nn1.
What is the InChIKey of 1-methoxy-3-[4-(propylaminomethyl)triazol-1-yl]propan-2-ol?
The InChIKey is KOAYMYWQMKYZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-3-4-11-5-9-6-14(13-12-9)7-10(15)8-16-2/h6,10-11,15H,3-5,7-8H2,1-2H3.
What are the key properties of 1-methoxy-3-[4-(propylaminomethyl)triazol-1-yl]propan-2-ol?
1-methoxy-3-[4-(propylaminomethyl)triazol-1-yl]propan-2-ol has a molecular weight of 228.30 g/mol, XLogP of -0.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[4-(propylaminomethyl)triazol-1-yl]propan-2-ol is sourced from PubChem (CID 66191790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).