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

C15H25N3O2 — CID 61376083

IUPAC2-[1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid
SMILESCCCn1c(C)nnc1CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H25N3O2/c1-3-9-18-12(2)16-17-13(18)10-15(11-14(19)20)7-5-4-6-8-15/h3-11H2,1-2H3,(H,19,20)
InChIKeyHDTMFWPOUYHSEP-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.96
Rot. Bonds6

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

2-[1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid (PubChem CID 61376083) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid
PubChem CID61376083
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid
SMILESCCCn1c(C)nnc1CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H25N3O2/c1-3-9-18-12(2)16-17-13(18)10-15(11-14(19)20)7-5-4-6-8-15/h3-11H2,1-2H3,(H,19,20)
InChIKeyHDTMFWPOUYHSEP-UHFFFAOYSA-N
XLogP2.96
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 61376675
2-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid
CID 62697011
2-(1-tetradecylcyclohexyl)acetic acid
CID 172766747
2-[1-[(1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid
CID 61070767
2-[1-[[5-(2-propoxyethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetic acid
CID 62716683
2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid
CID 59912914
methyl 1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate
CID 79734088
2-[1-[(3-hydroxy-4,5-dimethyl-2H-imidazol-1-yl)methyl]cyclohexyl]acetic acid
CID 139592818
2-[1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid
CID 61071138
2-[1-[[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclohexyl]acetic acid
CID 63756788
2-[1-(aminomethyl)cyclohexyl]acetic acid;heptane
CID 19361922
sodium 2-[1-(hydroxymethyl)cyclohexyl]acetic acid
CID 162368007

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid (CID 61376083) is 2-[1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid is CCCn1c(C)nnc1CC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid?
The InChIKey is HDTMFWPOUYHSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-9-18-12(2)16-17-13(18)10-15(11-14(19)20)7-5-4-6-8-15/h3-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid?
2-[1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid has a molecular weight of 279.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 61376083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).