4-hydroxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide

C10H18N4O2 — CID 79192690

IUPAC4-hydroxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
SMILESCC(O)CCC(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C10H18N4O2/c1-8(15)4-5-10(16)11-6-2-3-9-12-7-13-14-9/h7-8,15H,2-6H2,1H3,(H,11,16)(H,12,13,14)
InChIKeyHGRKMZDTCXKZRS-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.01
Rot. Bonds7

About 4-hydroxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide

4-hydroxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide (PubChem CID 79192690) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-hydroxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
PubChem CID79192690
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name4-hydroxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
SMILESCC(O)CCC(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C10H18N4O2/c1-8(15)4-5-10(16)11-6-2-3-9-12-7-13-14-9/h7-8,15H,2-6H2,1H3,(H,11,16)(H,12,13,14)
InChIKeyHGRKMZDTCXKZRS-UHFFFAOYSA-N
XLogP0.01
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.01
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

3-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64530629
4-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 79001382
6-acetamido-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide
CID 64547268
4-amino-4-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 64530541
2,3-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 64547511
2-(4-methylphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64548489
propan-2-yl N-[3-(1H-1,2,4-triazol-5-yl)propyl]carbamate
CID 64530259
(2S)-2-amino-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
CID 64531146
3-hydroxy-2-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoylamino]butanoic acid
CID 64529603
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]dodecanamide
CID 65426736
(2S,3S)-2-amino-3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
CID 64532327
3-(4-fluorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64548082

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide?
The IUPAC name of 4-hydroxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide (CID 79192690) is 4-hydroxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide.
What is the SMILES notation for 4-hydroxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide?
The canonical SMILES for 4-hydroxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide is CC(O)CCC(=O)NCCCc1ncn[nH]1.
What is the InChIKey of 4-hydroxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide?
The InChIKey is HGRKMZDTCXKZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-8(15)4-5-10(16)11-6-2-3-9-12-7-13-14-9/h7-8,15H,2-6H2,1H3,(H,11,16)(H,12,13,14).
What are the key properties of 4-hydroxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide?
4-hydroxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide has a molecular weight of 226.28 g/mol, XLogP of 0.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide is sourced from PubChem (CID 79192690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).