5-chloro-N-(1H-1,2,4-triazol-5-yl)pentanamide

C7H11ClN4O — CID 63665630

IUPAC5-chloro-N-(1H-1,2,4-triazol-5-yl)pentanamide
SMILESO=C(CCCCCl)Nc1ncn[nH]1
InChIInChI=1S/C7H11ClN4O/c8-4-2-1-3-6(13)11-7-9-5-10-12-7/h5H,1-4H2,(H2,9,10,11,12,13)
InChIKeyVHQSFPRWINYVLE-UHFFFAOYSA-N
MW202.64 g/mol
LogP1.15
Rot. Bonds5

About 5-chloro-N-(1H-1,2,4-triazol-5-yl)pentanamide

5-chloro-N-(1H-1,2,4-triazol-5-yl)pentanamide (PubChem CID 63665630) has the molecular formula C7H11ClN4O and a molecular weight of 202.64 g/mol. Its IUPAC name is 5-chloro-N-(1H-1,2,4-triazol-5-yl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(1H-1,2,4-triazol-5-yl)pentanamide
PubChem CID63665630
Molecular FormulaC7H11ClN4O
Molecular Weight202.64 g/mol
Exact Mass202.06
IUPAC Name5-chloro-N-(1H-1,2,4-triazol-5-yl)pentanamide
SMILESO=C(CCCCCl)Nc1ncn[nH]1
InChIInChI=1S/C7H11ClN4O/c8-4-2-1-3-6(13)11-7-9-5-10-12-7/h5H,1-4H2,(H2,9,10,11,12,13)
InChIKeyVHQSFPRWINYVLE-UHFFFAOYSA-N
XLogP1.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-chloro-N-(1H-1,2,4-triazol-5-yl)pentanamide 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

N-(1H-1,2,4-triazol-5-yl)butanamide
CID 5020131
5-oxo-N-(1H-1,2,4-triazol-5-yl)dodecanamide
CID 56696523
5-[(3R)-dithiolan-3-yl]-N-(1H-1,2,4-triazol-5-yl)pentanamide
CID 30864279
4-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 30866887
4-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 8835372
3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 61216623
5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)pentanamide
CID 104617778
4-[benzenesulfonyl(methyl)amino]-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 2216075
3-[(2-phenylacetyl)amino]-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 30864454
2-ethoxy-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 61216264
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 47255836
6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide
CID 71709335

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1H-1,2,4-triazol-5-yl)pentanamide?
The IUPAC name of 5-chloro-N-(1H-1,2,4-triazol-5-yl)pentanamide (CID 63665630) is 5-chloro-N-(1H-1,2,4-triazol-5-yl)pentanamide.
What is the SMILES notation for 5-chloro-N-(1H-1,2,4-triazol-5-yl)pentanamide?
The canonical SMILES for 5-chloro-N-(1H-1,2,4-triazol-5-yl)pentanamide is O=C(CCCCCl)Nc1ncn[nH]1.
What is the InChIKey of 5-chloro-N-(1H-1,2,4-triazol-5-yl)pentanamide?
The InChIKey is VHQSFPRWINYVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4O/c8-4-2-1-3-6(13)11-7-9-5-10-12-7/h5H,1-4H2,(H2,9,10,11,12,13).
What are the key properties of 5-chloro-N-(1H-1,2,4-triazol-5-yl)pentanamide?
5-chloro-N-(1H-1,2,4-triazol-5-yl)pentanamide has a molecular weight of 202.64 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1H-1,2,4-triazol-5-yl)pentanamide is sourced from PubChem (CID 63665630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).