2-methoxy-N-(1H-1,2,4-triazol-5-yl)propanamide

C6H10N4O2 — CID 115589055

IUPAC2-methoxy-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCOC(C)C(=O)Nc1ncn[nH]1
InChIInChI=1S/C6H10N4O2/c1-4(12-2)5(11)9-6-7-3-8-10-6/h3-4H,1-2H3,(H2,7,8,9,10,11)
InChIKeyUPRFGKWBRURPJG-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.22
Rot. Bonds3

About 2-methoxy-N-(1H-1,2,4-triazol-5-yl)propanamide

2-methoxy-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 115589055) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-methoxy-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name2-methoxy-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID115589055
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name2-methoxy-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCOC(C)C(=O)Nc1ncn[nH]1
InChIInChI=1S/C6H10N4O2/c1-4(12-2)5(11)9-6-7-3-8-10-6/h3-4H,1-2H3,(H2,7,8,9,10,11)
InChIKeyUPRFGKWBRURPJG-UHFFFAOYSA-N
XLogP-0.22
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 82110523
(2R)-2-acetamido-3-methyl-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 30866586
(2S)-2-(2-chlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 30863929
2-pyrrol-1-yl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 121240807
(2R)-2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 30866427
(2S)-2-(2-bromo-4-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 92861794
2-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide
CID 115588518
2-(4-methylphenyl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 2977752
2-methoxy-N-(1H-pyrazol-5-yl)propanamide
CID 115596669
(2R)-2-phenoxy-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 894977
(2R)-2-(4-nitrophenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 895114
(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 719152

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of 2-methoxy-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 115589055) is 2-methoxy-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 2-methoxy-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 2-methoxy-N-(1H-1,2,4-triazol-5-yl)propanamide is COC(C)C(=O)Nc1ncn[nH]1.
What is the InChIKey of 2-methoxy-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is UPRFGKWBRURPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-4(12-2)5(11)9-6-7-3-8-10-6/h3-4H,1-2H3,(H2,7,8,9,10,11).
What are the key properties of 2-methoxy-N-(1H-1,2,4-triazol-5-yl)propanamide?
2-methoxy-N-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 170.17 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 115589055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).