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

C17H17N5O — CID 39840999

IUPACN-(2-phenylethyl)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cc1nc(-c2cccnc2)n[nH]1)NCCc1ccccc1
InChIInChI=1S/C17H17N5O/c23-16(19-10-8-13-5-2-1-3-6-13)11-15-20-17(22-21-15)14-7-4-9-18-12-14/h1-7,9,12H,8,10-11H2,(H,19,23)(H,20,21,22)
InChIKeyFUBGJCCXSWOMLG-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.77
Rot. Bonds6

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

N-(2-phenylethyl)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 39840999) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID39840999
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-(2-phenylethyl)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cc1nc(-c2cccnc2)n[nH]1)NCCc1ccccc1
InChIInChI=1S/C17H17N5O/c23-16(19-10-8-13-5-2-1-3-6-13)11-15-20-17(22-21-15)14-7-4-9-18-12-14/h1-7,9,12H,8,10-11H2,(H,19,23)(H,20,21,22)
InChIKeyFUBGJCCXSWOMLG-UHFFFAOYSA-N
XLogP1.77
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of N-(2-phenylethyl)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetamide (CID 39840999) is N-(2-phenylethyl)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for N-(2-phenylethyl)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for N-(2-phenylethyl)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetamide is O=C(Cc1nc(-c2cccnc2)n[nH]1)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is FUBGJCCXSWOMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c23-16(19-10-8-13-5-2-1-3-6-13)11-15-20-17(22-21-15)14-7-4-9-18-12-14/h1-7,9,12H,8,10-11H2,(H,19,23)(H,20,21,22).
What are the key properties of N-(2-phenylethyl)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetamide?
N-(2-phenylethyl)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 307.36 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 39840999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).