N-[3-(2-hydroxyethoxy)propyl]-3-(1,2,4-triazol-1-yl)propanamide

C10H18N4O3 — CID 113364762

IUPACN-[3-(2-hydroxyethoxy)propyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)NCCCOCCO
InChIInChI=1S/C10H18N4O3/c15-5-7-17-6-1-3-12-10(16)2-4-14-9-11-8-13-14/h8-9,15H,1-7H2,(H,12,16)
InChIKeyFNXIAHDTJTYICP-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.82
Rot. Bonds9

About N-[3-(2-hydroxyethoxy)propyl]-3-(1,2,4-triazol-1-yl)propanamide

N-[3-(2-hydroxyethoxy)propyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 113364762) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[3-(2-hydroxyethoxy)propyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-(2-hydroxyethoxy)propyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID113364762
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC NameN-[3-(2-hydroxyethoxy)propyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)NCCCOCCO
InChIInChI=1S/C10H18N4O3/c15-5-7-17-6-1-3-12-10(16)2-4-14-9-11-8-13-14/h8-9,15H,1-7H2,(H,12,16)
InChIKeyFNXIAHDTJTYICP-UHFFFAOYSA-N
XLogP-0.82
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 110899828
methyl 6-[3-(1,2,4-triazol-1-yl)propanoylamino]hexanoate
CID 43423421
N-[2-(2-methoxyethylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 82994001
N-[2-(cyclopropylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 62665464
N-(5-hydroxy-2,2-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 113348269
N-(4-hydroxy-2-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 66108992
N-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 83032454
N-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 81483875
N-(2,3-dihydroxy-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 66168569
N-(2-aminopropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 63733343
N-(4-hydroxy-1-methoxybutan-2-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 103799249
N-methyl-4-(1,2,4-triazol-1-yl)butanamide
CID 61037544

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxyethoxy)propyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[3-(2-hydroxyethoxy)propyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 113364762) is N-[3-(2-hydroxyethoxy)propyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[3-(2-hydroxyethoxy)propyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[3-(2-hydroxyethoxy)propyl]-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)NCCCOCCO.
What is the InChIKey of N-[3-(2-hydroxyethoxy)propyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is FNXIAHDTJTYICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c15-5-7-17-6-1-3-12-10(16)2-4-14-9-11-8-13-14/h8-9,15H,1-7H2,(H,12,16).
What are the key properties of N-[3-(2-hydroxyethoxy)propyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[3-(2-hydroxyethoxy)propyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 242.28 g/mol, XLogP of -0.82, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxyethoxy)propyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 113364762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).