N-(4-hydroxy-1-methoxybutan-2-yl)-3-(1,2,4-triazol-1-yl)propanamide

C10H18N4O3 — CID 103799249

IUPACN-(4-hydroxy-1-methoxybutan-2-yl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCOCC(CCO)NC(=O)CCn1cncn1
InChIInChI=1S/C10H18N4O3/c1-17-6-9(3-5-15)13-10(16)2-4-14-8-11-7-12-14/h7-9,15H,2-6H2,1H3,(H,13,16)
InChIKeyACUGUHXQSQAEFW-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.82
Rot. Bonds8

About N-(4-hydroxy-1-methoxybutan-2-yl)-3-(1,2,4-triazol-1-yl)propanamide

N-(4-hydroxy-1-methoxybutan-2-yl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 103799249) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(4-hydroxy-1-methoxybutan-2-yl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxybutan-2-yl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID103799249
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC NameN-(4-hydroxy-1-methoxybutan-2-yl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCOCC(CCO)NC(=O)CCn1cncn1
InChIInChI=1S/C10H18N4O3/c1-17-6-9(3-5-15)13-10(16)2-4-14-8-11-7-12-14/h7-9,15H,2-6H2,1H3,(H,13,16)
InChIKeyACUGUHXQSQAEFW-UHFFFAOYSA-N
XLogP-0.82
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-3-(1,2,4-triazol-1-yl)propanamide (CID 103799249) is N-(4-hydroxy-1-methoxybutan-2-yl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxybutan-2-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(4-hydroxy-1-methoxybutan-2-yl)-3-(1,2,4-triazol-1-yl)propanamide is COCC(CCO)NC(=O)CCn1cncn1.
What is the InChIKey of N-(4-hydroxy-1-methoxybutan-2-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is ACUGUHXQSQAEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-17-6-9(3-5-15)13-10(16)2-4-14-8-11-7-12-14/h7-9,15H,2-6H2,1H3,(H,13,16).
What are the key properties of N-(4-hydroxy-1-methoxybutan-2-yl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(4-hydroxy-1-methoxybutan-2-yl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 242.28 g/mol, XLogP of -0.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-methoxybutan-2-yl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 103799249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).