1-(2-aminoimidazol-1-yl)-4-[4-(fluoromethyl)triazol-1-yl]butane-2,3-diol

C10H15FN6O2 — CID 71055152

IUPAC1-(2-aminoimidazol-1-yl)-4-[4-(fluoromethyl)triazol-1-yl]butane-2,3-diol
SMILESNc1nccn1CC(O)C(O)Cn1cc(CF)nn1
InChIInChI=1S/C10H15FN6O2/c11-3-7-4-17(15-14-7)6-9(19)8(18)5-16-2-1-13-10(16)12/h1-2,4,8-9,18-19H,3,5-6H2,(H2,12,13)
InChIKeyRSKWVOVWEJJOMI-UHFFFAOYSA-N
MW270.27 g/mol
LogP-1.05
Rot. Bonds6

About 1-(2-aminoimidazol-1-yl)-4-[4-(fluoromethyl)triazol-1-yl]butane-2,3-diol

1-(2-aminoimidazol-1-yl)-4-[4-(fluoromethyl)triazol-1-yl]butane-2,3-diol (PubChem CID 71055152) has the molecular formula C10H15FN6O2 and a molecular weight of 270.27 g/mol. Its IUPAC name is 1-(2-aminoimidazol-1-yl)-4-[4-(fluoromethyl)triazol-1-yl]butane-2,3-diol.

Molecular Properties

Compound Name1-(2-aminoimidazol-1-yl)-4-[4-(fluoromethyl)triazol-1-yl]butane-2,3-diol
PubChem CID71055152
Molecular FormulaC10H15FN6O2
Molecular Weight270.27 g/mol
Exact Mass270.12
IUPAC Name1-(2-aminoimidazol-1-yl)-4-[4-(fluoromethyl)triazol-1-yl]butane-2,3-diol
SMILESNc1nccn1CC(O)C(O)Cn1cc(CF)nn1
InChIInChI=1S/C10H15FN6O2/c11-3-7-4-17(15-14-7)6-9(19)8(18)5-16-2-1-13-10(16)12/h1-2,4,8-9,18-19H,3,5-6H2,(H2,12,13)
InChIKeyRSKWVOVWEJJOMI-UHFFFAOYSA-N
XLogP-1.05
TPSA115.01 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoimidazol-1-yl)-4-[4-(fluoromethyl)triazol-1-yl]butane-2,3-diol?
The IUPAC name of 1-(2-aminoimidazol-1-yl)-4-[4-(fluoromethyl)triazol-1-yl]butane-2,3-diol (CID 71055152) is 1-(2-aminoimidazol-1-yl)-4-[4-(fluoromethyl)triazol-1-yl]butane-2,3-diol.
What is the SMILES notation for 1-(2-aminoimidazol-1-yl)-4-[4-(fluoromethyl)triazol-1-yl]butane-2,3-diol?
The canonical SMILES for 1-(2-aminoimidazol-1-yl)-4-[4-(fluoromethyl)triazol-1-yl]butane-2,3-diol is Nc1nccn1CC(O)C(O)Cn1cc(CF)nn1.
What is the InChIKey of 1-(2-aminoimidazol-1-yl)-4-[4-(fluoromethyl)triazol-1-yl]butane-2,3-diol?
The InChIKey is RSKWVOVWEJJOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN6O2/c11-3-7-4-17(15-14-7)6-9(19)8(18)5-16-2-1-13-10(16)12/h1-2,4,8-9,18-19H,3,5-6H2,(H2,12,13).
What are the key properties of 1-(2-aminoimidazol-1-yl)-4-[4-(fluoromethyl)triazol-1-yl]butane-2,3-diol?
1-(2-aminoimidazol-1-yl)-4-[4-(fluoromethyl)triazol-1-yl]butane-2,3-diol has a molecular weight of 270.27 g/mol, XLogP of -1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoimidazol-1-yl)-4-[4-(fluoromethyl)triazol-1-yl]butane-2,3-diol is sourced from PubChem (CID 71055152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).