1-amino-1-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)propan-2-ol

C12H22N4O — CID 61362967

IUPAC1-amino-1-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)propan-2-ol
SMILESCc1nnc(C(N)C(C)O)n1C1CCCCC1
InChIInChI=1S/C12H22N4O/c1-8(17)11(13)12-15-14-9(2)16(12)10-6-4-3-5-7-10/h8,10-11,17H,3-7,13H2,1-2H3
InChIKeyPPCXCEBUTHPUQF-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.47
Rot. Bonds3

About 1-amino-1-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)propan-2-ol

1-amino-1-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)propan-2-ol (PubChem CID 61362967) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-amino-1-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-1-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)propan-2-ol
PubChem CID61362967
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-amino-1-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)propan-2-ol
SMILESCc1nnc(C(N)C(C)O)n1C1CCCCC1
InChIInChI=1S/C12H22N4O/c1-8(17)11(13)12-15-14-9(2)16(12)10-6-4-3-5-7-10/h8,10-11,17H,3-7,13H2,1-2H3
InChIKeyPPCXCEBUTHPUQF-UHFFFAOYSA-N
XLogP1.47
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)propan-2-ol?
The IUPAC name of 1-amino-1-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)propan-2-ol (CID 61362967) is 1-amino-1-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)propan-2-ol.
What is the SMILES notation for 1-amino-1-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)propan-2-ol?
The canonical SMILES for 1-amino-1-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)propan-2-ol is Cc1nnc(C(N)C(C)O)n1C1CCCCC1.
What is the InChIKey of 1-amino-1-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)propan-2-ol?
The InChIKey is PPCXCEBUTHPUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8(17)11(13)12-15-14-9(2)16(12)10-6-4-3-5-7-10/h8,10-11,17H,3-7,13H2,1-2H3.
What are the key properties of 1-amino-1-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)propan-2-ol?
1-amino-1-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)propan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)propan-2-ol is sourced from PubChem (CID 61362967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).