N-(3-methoxypropyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide

C13H17N5O2 — CID 16766862

IUPACN-(3-methoxypropyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESCOCCCNC(=O)Cc1nc(-c2ccncc2)n[nH]1
InChIInChI=1S/C13H17N5O2/c1-20-8-2-5-15-12(19)9-11-16-13(18-17-11)10-3-6-14-7-4-10/h3-4,6-7H,2,5,8-9H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyPPUUKFOHDYUJHR-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.56
Rot. Bonds7

About N-(3-methoxypropyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide

N-(3-methoxypropyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 16766862) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID16766862
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-(3-methoxypropyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESCOCCCNC(=O)Cc1nc(-c2ccncc2)n[nH]1
InChIInChI=1S/C13H17N5O2/c1-20-8-2-5-15-12(19)9-11-16-13(18-17-11)10-3-6-14-7-4-10/h3-4,6-7H,2,5,8-9H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyPPUUKFOHDYUJHR-UHFFFAOYSA-N
XLogP0.56
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
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-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide (CID 16766862) is N-(3-methoxypropyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide is COCCCNC(=O)Cc1nc(-c2ccncc2)n[nH]1.
What is the InChIKey of N-(3-methoxypropyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is PPUUKFOHDYUJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-20-8-2-5-15-12(19)9-11-16-13(18-17-11)10-3-6-14-7-4-10/h3-4,6-7H,2,5,8-9H2,1H3,(H,15,19)(H,16,17,18).
What are the key properties of N-(3-methoxypropyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide?
N-(3-methoxypropyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 275.31 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 16766862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).