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

C7H12N4O2 — CID 79199696

IUPAC5-hydroxy-N-(1H-1,2,4-triazol-5-yl)pentanamide
SMILESO=C(CCCCO)Nc1ncn[nH]1
InChIInChI=1S/C7H12N4O2/c12-4-2-1-3-6(13)10-7-8-5-9-11-7/h5,12H,1-4H2,(H2,8,9,10,11,13)
InChIKeyQDVIYLQTEYQHRO-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.09
Rot. Bonds5

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

5-hydroxy-N-(1H-1,2,4-triazol-5-yl)pentanamide (PubChem CID 79199696) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 5-hydroxy-N-(1H-1,2,4-triazol-5-yl)pentanamide.

Molecular Properties

Compound Name5-hydroxy-N-(1H-1,2,4-triazol-5-yl)pentanamide
PubChem CID79199696
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name5-hydroxy-N-(1H-1,2,4-triazol-5-yl)pentanamide
SMILESO=C(CCCCO)Nc1ncn[nH]1
InChIInChI=1S/C7H12N4O2/c12-4-2-1-3-6(13)10-7-8-5-9-11-7/h5,12H,1-4H2,(H2,8,9,10,11,13)
InChIKeyQDVIYLQTEYQHRO-UHFFFAOYSA-N
XLogP-0.09
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-oxo-5-(1H-1,2,4-triazol-5-ylamino)pentanoic acid
CID 12541816
6-oxo-6-(1H-1,2,4-triazol-5-ylamino)hexanoic acid
CID 63663973
3-methyl-5-oxo-5-(1H-1,2,4-triazol-5-ylamino)pentanoic acid
CID 63663974
4-hydroxy-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 79203629
4-hydroxy-N-(1H-1,2,4-triazol-5-yl)pentanamide
CID 79203630
5-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pentanamide
CID 83096131
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-hydroxypentanamide
CID 104818903
2-(oxan-4-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 108464277
N-(5-hydroxypentyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
CID 108525811
methyl 5-oxo-5-(1H-1,2,4-triazol-5-ylamino)pentanoate
CID 171979252

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-(1H-1,2,4-triazol-5-yl)pentanamide?
The IUPAC name of 5-hydroxy-N-(1H-1,2,4-triazol-5-yl)pentanamide (CID 79199696) is 5-hydroxy-N-(1H-1,2,4-triazol-5-yl)pentanamide.
What is the SMILES notation for 5-hydroxy-N-(1H-1,2,4-triazol-5-yl)pentanamide?
The canonical SMILES for 5-hydroxy-N-(1H-1,2,4-triazol-5-yl)pentanamide is O=C(CCCCO)Nc1ncn[nH]1.
What is the InChIKey of 5-hydroxy-N-(1H-1,2,4-triazol-5-yl)pentanamide?
The InChIKey is QDVIYLQTEYQHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c12-4-2-1-3-6(13)10-7-8-5-9-11-7/h5,12H,1-4H2,(H2,8,9,10,11,13).
What are the key properties of 5-hydroxy-N-(1H-1,2,4-triazol-5-yl)pentanamide?
5-hydroxy-N-(1H-1,2,4-triazol-5-yl)pentanamide has a molecular weight of 184.20 g/mol, XLogP of -0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-(1H-1,2,4-triazol-5-yl)pentanamide is sourced from PubChem (CID 79199696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).