5-[4-(methylaminomethyl)triazol-1-yl]pentan-1-ol

C9H18N4O — CID 66213841

IUPAC5-[4-(methylaminomethyl)triazol-1-yl]pentan-1-ol
SMILESCNCc1cn(CCCCCO)nn1
InChIInChI=1S/C9H18N4O/c1-10-7-9-8-13(12-11-9)5-3-2-4-6-14/h8,10,14H,2-7H2,1H3
InChIKeyRUSKWWFUFHIZDF-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.16
Rot. Bonds7

About 5-[4-(methylaminomethyl)triazol-1-yl]pentan-1-ol

5-[4-(methylaminomethyl)triazol-1-yl]pentan-1-ol (PubChem CID 66213841) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 5-[4-(methylaminomethyl)triazol-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[4-(methylaminomethyl)triazol-1-yl]pentan-1-ol
PubChem CID66213841
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name5-[4-(methylaminomethyl)triazol-1-yl]pentan-1-ol
SMILESCNCc1cn(CCCCCO)nn1
InChIInChI=1S/C9H18N4O/c1-10-7-9-8-13(12-11-9)5-3-2-4-6-14/h8,10,14H,2-7H2,1H3
InChIKeyRUSKWWFUFHIZDF-UHFFFAOYSA-N
XLogP0.16
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(methylaminomethyl)triazol-1-yl]pentan-1-ol?
The IUPAC name of 5-[4-(methylaminomethyl)triazol-1-yl]pentan-1-ol (CID 66213841) is 5-[4-(methylaminomethyl)triazol-1-yl]pentan-1-ol.
What is the SMILES notation for 5-[4-(methylaminomethyl)triazol-1-yl]pentan-1-ol?
The canonical SMILES for 5-[4-(methylaminomethyl)triazol-1-yl]pentan-1-ol is CNCc1cn(CCCCCO)nn1.
What is the InChIKey of 5-[4-(methylaminomethyl)triazol-1-yl]pentan-1-ol?
The InChIKey is RUSKWWFUFHIZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-10-7-9-8-13(12-11-9)5-3-2-4-6-14/h8,10,14H,2-7H2,1H3.
What are the key properties of 5-[4-(methylaminomethyl)triazol-1-yl]pentan-1-ol?
5-[4-(methylaminomethyl)triazol-1-yl]pentan-1-ol has a molecular weight of 198.27 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methylaminomethyl)triazol-1-yl]pentan-1-ol is sourced from PubChem (CID 66213841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).