(1R,2R)-1-amino-1-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-ol

C11H20N4O — CID 94554751

IUPAC(1R,2R)-1-amino-1-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-ol
SMILESC[C@@H](O)[C@H](N)c1nncn1C1CCCCC1
InChIInChI=1S/C11H20N4O/c1-8(16)10(12)11-14-13-7-15(11)9-5-3-2-4-6-9/h7-10,16H,2-6,12H2,1H3/t8-,10+/m1/s1
InChIKeyRBUDOJHAOLMJIX-SCZZXKLOSA-N
MW224.31 g/mol
LogP1.16
Rot. Bonds3

About (1R,2R)-1-amino-1-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-ol

(1R,2R)-1-amino-1-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-ol (PubChem CID 94554751) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is (1R,2R)-1-amino-1-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-amino-1-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-ol
PubChem CID94554751
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name(1R,2R)-1-amino-1-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-ol
SMILESC[C@@H](O)[C@H](N)c1nncn1C1CCCCC1
InChIInChI=1S/C11H20N4O/c1-8(16)10(12)11-14-13-7-15(11)9-5-3-2-4-6-9/h7-10,16H,2-6,12H2,1H3/t8-,10+/m1/s1
InChIKeyRBUDOJHAOLMJIX-SCZZXKLOSA-N
XLogP1.16
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-amino-1-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-ol?
The IUPAC name of (1R,2R)-1-amino-1-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-ol (CID 94554751) is (1R,2R)-1-amino-1-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-ol.
What is the SMILES notation for (1R,2R)-1-amino-1-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-ol?
The canonical SMILES for (1R,2R)-1-amino-1-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-ol is C[C@@H](O)[C@H](N)c1nncn1C1CCCCC1.
What is the InChIKey of (1R,2R)-1-amino-1-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-ol?
The InChIKey is RBUDOJHAOLMJIX-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(16)10(12)11-14-13-7-15(11)9-5-3-2-4-6-9/h7-10,16H,2-6,12H2,1H3/t8-,10+/m1/s1.
What are the key properties of (1R,2R)-1-amino-1-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-ol?
(1R,2R)-1-amino-1-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-ol has a molecular weight of 224.31 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-amino-1-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-ol is sourced from PubChem (CID 94554751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).