(2R)-2-amino-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methylpentanamide

C15H27N5O — CID 56880888

IUPAC(2R)-2-amino-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)NCc1nncn1C1CCCCC1
InChIInChI=1S/C15H27N5O/c1-11(2)8-13(16)15(21)17-9-14-19-18-10-20(14)12-6-4-3-5-7-12/h10-13H,3-9,16H2,1-2H3,(H,17,21)/t13-/m1/s1
InChIKeyQLVIEKGFTUJUFR-CYBMUJFWSA-N
MW293.42 g/mol
LogP1.77
Rot. Bonds6

About (2R)-2-amino-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methylpentanamide

(2R)-2-amino-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methylpentanamide (PubChem CID 56880888) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is (2R)-2-amino-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methylpentanamide
PubChem CID56880888
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name(2R)-2-amino-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)NCc1nncn1C1CCCCC1
InChIInChI=1S/C15H27N5O/c1-11(2)8-13(16)15(21)17-9-14-19-18-10-20(14)12-6-4-3-5-7-12/h10-13H,3-9,16H2,1-2H3,(H,17,21)/t13-/m1/s1
InChIKeyQLVIEKGFTUJUFR-CYBMUJFWSA-N
XLogP1.77
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methylpentanamide (CID 56880888) is (2R)-2-amino-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methylpentanamide is CC(C)C[C@@H](N)C(=O)NCc1nncn1C1CCCCC1.
What is the InChIKey of (2R)-2-amino-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methylpentanamide?
The InChIKey is QLVIEKGFTUJUFR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H27N5O/c1-11(2)8-13(16)15(21)17-9-14-19-18-10-20(14)12-6-4-3-5-7-12/h10-13H,3-9,16H2,1-2H3,(H,17,21)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methylpentanamide?
(2R)-2-amino-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methylpentanamide has a molecular weight of 293.42 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methylpentanamide is sourced from PubChem (CID 56880888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).