4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]butanamide

C14H23N5O2 — CID 149377172

IUPAC4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]butanamide
SMILESNCCCC(=O)NC1CCC(CC(=O)c2ncn[nH]2)CC1
InChIInChI=1S/C14H23N5O2/c15-7-1-2-13(21)18-11-5-3-10(4-6-11)8-12(20)14-16-9-17-19-14/h9-11H,1-8,15H2,(H,18,21)(H,16,17,19)
InChIKeyYKYLXPOHBRHBOS-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.79
Rot. Bonds7

About 4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]butanamide

4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]butanamide (PubChem CID 149377172) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]butanamide
PubChem CID149377172
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]butanamide
SMILESNCCCC(=O)NC1CCC(CC(=O)c2ncn[nH]2)CC1
InChIInChI=1S/C14H23N5O2/c15-7-1-2-13(21)18-11-5-3-10(4-6-11)8-12(20)14-16-9-17-19-14/h9-11H,1-8,15H2,(H,18,21)(H,16,17,19)
InChIKeyYKYLXPOHBRHBOS-UHFFFAOYSA-N
XLogP0.79
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]butanamide 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

4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]cyclohexane-1-carboxamide
CID 158828539
3-amino-N-[4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxoethyl]cyclohexyl]propanamide
CID 149091110
4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]butanamide
CID 79401523
4-amino-N-(4-phenylcyclohexyl)butanamide
CID 43699336
3-amino-N-[4-[2-(3-methyl-1,2-thiazol-4-yl)-2-oxoethyl]cyclohexyl]propanamide
CID 159912265
4-chloro-N-cyclopropylbutanamide
CID 5152347
7-amino-N-(4-butylcyclohexyl)heptanamide;hydrochloride
CID 119750320
4-amino-N-(thian-4-yl)butanamide;hydrochloride
CID 119313242
N,N'-dicyclopropyldecanediamide
CID 4668836
4-chloro-N-(4-ethylcyclohexyl)butanamide
CID 63308231
4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide
CID 119897919
4-amino-N-[4-[2-[4-(3-propanoylphenyl)piperazin-1-yl]ethyl]cyclohexyl]butanamide
CID 70956348

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]butanamide?
The IUPAC name of 4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]butanamide (CID 149377172) is 4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]butanamide.
What is the SMILES notation for 4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]butanamide?
The canonical SMILES for 4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]butanamide is NCCCC(=O)NC1CCC(CC(=O)c2ncn[nH]2)CC1.
What is the InChIKey of 4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]butanamide?
The InChIKey is YKYLXPOHBRHBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c15-7-1-2-13(21)18-11-5-3-10(4-6-11)8-12(20)14-16-9-17-19-14/h9-11H,1-8,15H2,(H,18,21)(H,16,17,19).
What are the key properties of 4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]butanamide?
4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]butanamide has a molecular weight of 293.37 g/mol, XLogP of 0.79, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]butanamide is sourced from PubChem (CID 149377172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).