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

C9H16N4O2 — CID 55028141

IUPACN-(3-methoxypropyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCOCCCNC(=O)C(C)n1cncn1
InChIInChI=1S/C9H16N4O2/c1-8(13-7-10-6-12-13)9(14)11-4-3-5-15-2/h6-8H,3-5H2,1-2H3,(H,11,14)
InChIKeyRXWPFYBZRIHFNB-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.01
Rot. Bonds6

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

N-(3-methoxypropyl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 55028141) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID55028141
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN-(3-methoxypropyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCOCCCNC(=O)C(C)n1cncn1
InChIInChI=1S/C9H16N4O2/c1-8(13-7-10-6-12-13)9(14)11-4-3-5-15-2/h6-8H,3-5H2,1-2H3,(H,11,14)
InChIKeyRXWPFYBZRIHFNB-UHFFFAOYSA-N
XLogP-0.01
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(3-methoxypropyl)-2-(1,2,4-triazol-1-yl)propanamide (CID 55028141) is N-(3-methoxypropyl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(1,2,4-triazol-1-yl)propanamide is COCCCNC(=O)C(C)n1cncn1.
What is the InChIKey of N-(3-methoxypropyl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is RXWPFYBZRIHFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-8(13-7-10-6-12-13)9(14)11-4-3-5-15-2/h6-8H,3-5H2,1-2H3,(H,11,14).
What are the key properties of N-(3-methoxypropyl)-2-(1,2,4-triazol-1-yl)propanamide?
N-(3-methoxypropyl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 212.25 g/mol, XLogP of -0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 55028141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).