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

C7H12N4O2 — CID 79203630

IUPAC4-hydroxy-N-(1H-1,2,4-triazol-5-yl)pentanamide
SMILESCC(O)CCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C7H12N4O2/c1-5(12)2-3-6(13)10-7-8-4-9-11-7/h4-5,12H,2-3H2,1H3,(H2,8,9,10,11,13)
InChIKeyVQSRGSGYWNRVRM-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.10
Rot. Bonds4

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

4-hydroxy-N-(1H-1,2,4-triazol-5-yl)pentanamide (PubChem CID 79203630) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 4-hydroxy-N-(1H-1,2,4-triazol-5-yl)pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-(1H-1,2,4-triazol-5-yl)pentanamide
PubChem CID79203630
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name4-hydroxy-N-(1H-1,2,4-triazol-5-yl)pentanamide
SMILESCC(O)CCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C7H12N4O2/c1-5(12)2-3-6(13)10-7-8-4-9-11-7/h4-5,12H,2-3H2,1H3,(H2,8,9,10,11,13)
InChIKeyVQSRGSGYWNRVRM-UHFFFAOYSA-N
XLogP-0.10
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4H-1,2,4-Triazol-3-YL)pentanamide
CID 19171439
5-hydroxy-N-(1H-1,2,4-triazol-5-yl)pentanamide
CID 79199696
4-hydroxy-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 79203629
4-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butanamide
CID 83095786
4-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pentanamide
CID 83095957
2-hydroxy-N-(1H-1,2,4-triazol-3-yl)propanamide
CID 83768368
(2S)-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 97030185
(2R)-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 97030186
4-methoxy-N-(1H-1,2,4-triazol-5-yl)pentanamide
CID 104099988
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-hydroxypentanamide
CID 104818902
4-ethoxy-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 112728064
4-methoxy-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 112731186

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(1H-1,2,4-triazol-5-yl)pentanamide?
The IUPAC name of 4-hydroxy-N-(1H-1,2,4-triazol-5-yl)pentanamide (CID 79203630) is 4-hydroxy-N-(1H-1,2,4-triazol-5-yl)pentanamide.
What is the SMILES notation for 4-hydroxy-N-(1H-1,2,4-triazol-5-yl)pentanamide?
The canonical SMILES for 4-hydroxy-N-(1H-1,2,4-triazol-5-yl)pentanamide is CC(O)CCC(=O)Nc1ncn[nH]1.
What is the InChIKey of 4-hydroxy-N-(1H-1,2,4-triazol-5-yl)pentanamide?
The InChIKey is VQSRGSGYWNRVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-5(12)2-3-6(13)10-7-8-4-9-11-7/h4-5,12H,2-3H2,1H3,(H2,8,9,10,11,13).
What are the key properties of 4-hydroxy-N-(1H-1,2,4-triazol-5-yl)pentanamide?
4-hydroxy-N-(1H-1,2,4-triazol-5-yl)pentanamide has a molecular weight of 184.20 g/mol, XLogP of -0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(1H-1,2,4-triazol-5-yl)pentanamide is sourced from PubChem (CID 79203630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).