1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid

C13H21N5O3 — CID 106283407

IUPAC1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(NC(=O)NCC1(C(=O)O)CCCCC1)c1ncn[nH]1
InChIInChI=1S/C13H21N5O3/c1-9(10-15-8-16-18-10)17-12(21)14-7-13(11(19)20)5-3-2-4-6-13/h8-9H,2-7H2,1H3,(H,19,20)(H2,14,17,21)(H,15,16,18)
InChIKeyAJCIRQXBHGKGQC-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.20
Rot. Bonds5

About 1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid

1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 106283407) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
PubChem CID106283407
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(NC(=O)NCC1(C(=O)O)CCCCC1)c1ncn[nH]1
InChIInChI=1S/C13H21N5O3/c1-9(10-15-8-16-18-10)17-12(21)14-7-13(11(19)20)5-3-2-4-6-13/h8-9H,2-7H2,1H3,(H,19,20)(H2,14,17,21)(H,15,16,18)
InChIKeyAJCIRQXBHGKGQC-UHFFFAOYSA-N
XLogP1.20
TPSA120.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 106283274
1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]cyclopropane-1-carboxylic acid
CID 106283288
2-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]acetic acid
CID 106283363
3-ethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 106283395
1-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 75518109
1-[(propan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 53397422
[1-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]cyclohexyl]methanol
CID 106281531
3-methoxy-4-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 114168133
1-[(3-methylpentan-2-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436807
1-[[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436808
2-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]butanoic acid
CID 106283453
1-[[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434048

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid (CID 106283407) is 1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid is CC(NC(=O)NCC1(C(=O)O)CCCCC1)c1ncn[nH]1.
What is the InChIKey of 1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is AJCIRQXBHGKGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-9(10-15-8-16-18-10)17-12(21)14-7-13(11(19)20)5-3-2-4-6-13/h8-9H,2-7H2,1H3,(H,19,20)(H2,14,17,21)(H,15,16,18).
What are the key properties of 1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid?
1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 1.20, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106283407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).