5-(2-methylpropyl)-3-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-1,2,4-triazole

C14H23N5 — CID 95119456

IUPAC5-(2-methylpropyl)-3-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-1,2,4-triazole
SMILESCC(C)Cc1nc([C@@H](C)n2ccnc2C(C)C)n[nH]1
InChIInChI=1S/C14H23N5/c1-9(2)8-12-16-13(18-17-12)11(5)19-7-6-15-14(19)10(3)4/h6-7,9-11H,8H2,1-5H3,(H,16,17,18)/t11-/m1/s1
InChIKeyKYXSYNBAHUPTAW-LLVKDONJSA-N
MW261.37 g/mol
LogP2.93
Rot. Bonds5

About 5-(2-methylpropyl)-3-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-1,2,4-triazole

5-(2-methylpropyl)-3-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-1,2,4-triazole (PubChem CID 95119456) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-(2-methylpropyl)-3-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-methylpropyl)-3-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-1,2,4-triazole
PubChem CID95119456
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name5-(2-methylpropyl)-3-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-1,2,4-triazole
SMILESCC(C)Cc1nc([C@@H](C)n2ccnc2C(C)C)n[nH]1
InChIInChI=1S/C14H23N5/c1-9(2)8-12-16-13(18-17-12)11(5)19-7-6-15-14(19)10(3)4/h6-7,9-11H,8H2,1-5H3,(H,16,17,18)/t11-/m1/s1
InChIKeyKYXSYNBAHUPTAW-LLVKDONJSA-N
XLogP2.93
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-3-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-1,2,4-triazole?
The IUPAC name of 5-(2-methylpropyl)-3-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-1,2,4-triazole (CID 95119456) is 5-(2-methylpropyl)-3-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-(2-methylpropyl)-3-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-(2-methylpropyl)-3-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-1,2,4-triazole is CC(C)Cc1nc([C@@H](C)n2ccnc2C(C)C)n[nH]1.
What is the InChIKey of 5-(2-methylpropyl)-3-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-1,2,4-triazole?
The InChIKey is KYXSYNBAHUPTAW-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23N5/c1-9(2)8-12-16-13(18-17-12)11(5)19-7-6-15-14(19)10(3)4/h6-7,9-11H,8H2,1-5H3,(H,16,17,18)/t11-/m1/s1.
What are the key properties of 5-(2-methylpropyl)-3-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-1,2,4-triazole?
5-(2-methylpropyl)-3-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-1,2,4-triazole has a molecular weight of 261.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-3-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-1,2,4-triazole is sourced from PubChem (CID 95119456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).