4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-1-ol

C10H20N4O — CID 110936149

IUPAC4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-1-ol
SMILESCc1nnc(CN(C)CCCCO)n1C
InChIInChI=1S/C10H20N4O/c1-9-11-12-10(14(9)3)8-13(2)6-4-5-7-15/h15H,4-8H2,1-3H3
InChIKeyHRFYIPSJFIZEMZ-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.33
Rot. Bonds6

About 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-1-ol

4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-1-ol (PubChem CID 110936149) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-1-ol.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-1-ol
PubChem CID110936149
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-1-ol
SMILESCc1nnc(CN(C)CCCCO)n1C
InChIInChI=1S/C10H20N4O/c1-9-11-12-10(14(9)3)8-13(2)6-4-5-7-15/h15H,4-8H2,1-3H3
InChIKeyHRFYIPSJFIZEMZ-UHFFFAOYSA-N
XLogP0.33
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.33
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

4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-ol
CID 64578237
2-[2,2-Difluoroethyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]ethanol
CID 107485438
3-[(4-Ethyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol
CID 109967583
3-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111109888
3-[(4-Ethyl-5-methyl-1,2,4-triazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111109931
2-(Dimethyl-4H-1,2,4-triazol-3-yl)ethan-1-ol
CID 18726591
4-(3,5-Dimethyl-1,2,4-triazol-4-yl)butanol
CID 19864525
3-(3,5-Dimethyl-1,2,4-triazol-4-yl)propan-1-ol
CID 19930463
3-(3-Methoxypropyl)-4,5-dimethyl-1,2,4-triazole
CID 89033282
2-(5-Tert-butyl-4-methyl-1,2,4-triazol-3-yl)ethanol
CID 129175048
1-(3,5-Dimethyl-1,2,4-triazol-4-yl)ethanol;ethane
CID 145060617
3-{5H,6H,7H-Pyrrolo[2,1-C][1,2,4]triazol-3-YL}propan-1-OL
CID 24688423

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-1-ol?
The IUPAC name of 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-1-ol (CID 110936149) is 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-1-ol.
What is the SMILES notation for 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-1-ol?
The canonical SMILES for 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-1-ol is Cc1nnc(CN(C)CCCCO)n1C.
What is the InChIKey of 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-1-ol?
The InChIKey is HRFYIPSJFIZEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-9-11-12-10(14(9)3)8-13(2)6-4-5-7-15/h15H,4-8H2,1-3H3.
What are the key properties of 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-1-ol?
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-1-ol has a molecular weight of 212.30 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-1-ol is sourced from PubChem (CID 110936149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).