2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)acetic acid

C11H17N3O2 — CID 62722916

IUPAC2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)acetic acid
SMILESCn1nc(C2CCCCC2)nc1CC(=O)O
InChIInChI=1S/C11H17N3O2/c1-14-9(7-10(15)16)12-11(13-14)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,15,16)
InChIKeyOIUBLXNGUIXDSM-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.49
Rot. Bonds3

About 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)acetic acid

2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)acetic acid (PubChem CID 62722916) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)acetic acid
PubChem CID62722916
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)acetic acid
SMILESCn1nc(C2CCCCC2)nc1CC(=O)O
InChIInChI=1S/C11H17N3O2/c1-14-9(7-10(15)16)12-11(13-14)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,15,16)
InChIKeyOIUBLXNGUIXDSM-UHFFFAOYSA-N
XLogP1.49
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)acetic acid?
The IUPAC name of 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)acetic acid (CID 62722916) is 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)acetic acid?
The canonical SMILES for 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)acetic acid is Cn1nc(C2CCCCC2)nc1CC(=O)O.
What is the InChIKey of 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)acetic acid?
The InChIKey is OIUBLXNGUIXDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14-9(7-10(15)16)12-11(13-14)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)acetic acid?
2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)acetic acid has a molecular weight of 223.28 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)acetic acid is sourced from PubChem (CID 62722916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).