2-[4-[(2-aminoimidazol-1-yl)methyl]triazol-1-yl]butan-1-ol

C10H16N6O — CID 71055105

IUPAC2-[4-[(2-aminoimidazol-1-yl)methyl]triazol-1-yl]butan-1-ol
SMILESCCC(CO)n1cc(Cn2ccnc2N)nn1
InChIInChI=1S/C10H16N6O/c1-2-9(7-17)16-6-8(13-14-16)5-15-4-3-12-10(15)11/h3-4,6,9,17H,2,5,7H2,1H3,(H2,11,12)
InChIKeyMITZXIZGKLXSLV-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.05
Rot. Bonds5

About 2-[4-[(2-aminoimidazol-1-yl)methyl]triazol-1-yl]butan-1-ol

2-[4-[(2-aminoimidazol-1-yl)methyl]triazol-1-yl]butan-1-ol (PubChem CID 71055105) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-[4-[(2-aminoimidazol-1-yl)methyl]triazol-1-yl]butan-1-ol.

Molecular Properties

Compound Name2-[4-[(2-aminoimidazol-1-yl)methyl]triazol-1-yl]butan-1-ol
PubChem CID71055105
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name2-[4-[(2-aminoimidazol-1-yl)methyl]triazol-1-yl]butan-1-ol
SMILESCCC(CO)n1cc(Cn2ccnc2N)nn1
InChIInChI=1S/C10H16N6O/c1-2-9(7-17)16-6-8(13-14-16)5-15-4-3-12-10(15)11/h3-4,6,9,17H,2,5,7H2,1H3,(H2,11,12)
InChIKeyMITZXIZGKLXSLV-UHFFFAOYSA-N
XLogP0.05
TPSA94.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-aminoimidazol-1-yl)methyl]triazol-1-yl]butan-1-ol?
The IUPAC name of 2-[4-[(2-aminoimidazol-1-yl)methyl]triazol-1-yl]butan-1-ol (CID 71055105) is 2-[4-[(2-aminoimidazol-1-yl)methyl]triazol-1-yl]butan-1-ol.
What is the SMILES notation for 2-[4-[(2-aminoimidazol-1-yl)methyl]triazol-1-yl]butan-1-ol?
The canonical SMILES for 2-[4-[(2-aminoimidazol-1-yl)methyl]triazol-1-yl]butan-1-ol is CCC(CO)n1cc(Cn2ccnc2N)nn1.
What is the InChIKey of 2-[4-[(2-aminoimidazol-1-yl)methyl]triazol-1-yl]butan-1-ol?
The InChIKey is MITZXIZGKLXSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c1-2-9(7-17)16-6-8(13-14-16)5-15-4-3-12-10(15)11/h3-4,6,9,17H,2,5,7H2,1H3,(H2,11,12).
What are the key properties of 2-[4-[(2-aminoimidazol-1-yl)methyl]triazol-1-yl]butan-1-ol?
2-[4-[(2-aminoimidazol-1-yl)methyl]triazol-1-yl]butan-1-ol has a molecular weight of 236.28 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-aminoimidazol-1-yl)methyl]triazol-1-yl]butan-1-ol is sourced from PubChem (CID 71055105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).