N-[6-[(2-methoxyphenyl)methoxy]pyrimidin-4-yl]-2-(1,2,4-triazol-1-yl)acetamide

C16H16N6O3 — CID 71795838

IUPACN-[6-[(2-methoxyphenyl)methoxy]pyrimidin-4-yl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCOc1ccccc1COc1cc(NC(=O)Cn2cncn2)ncn1
InChIInChI=1S/C16H16N6O3/c1-24-13-5-3-2-4-12(13)8-25-16-6-14(18-10-19-16)21-15(23)7-22-11-17-9-20-22/h2-6,9-11H,7-8H2,1H3,(H,18,19,21,23)
InChIKeyGHEHCKXZUWJEKS-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.29
Rot. Bonds7

About N-[6-[(2-methoxyphenyl)methoxy]pyrimidin-4-yl]-2-(1,2,4-triazol-1-yl)acetamide

N-[6-[(2-methoxyphenyl)methoxy]pyrimidin-4-yl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 71795838) has the molecular formula C16H16N6O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is N-[6-[(2-methoxyphenyl)methoxy]pyrimidin-4-yl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[6-[(2-methoxyphenyl)methoxy]pyrimidin-4-yl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID71795838
Molecular FormulaC16H16N6O3
Molecular Weight340.34 g/mol
Exact Mass340.13
IUPAC NameN-[6-[(2-methoxyphenyl)methoxy]pyrimidin-4-yl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCOc1ccccc1COc1cc(NC(=O)Cn2cncn2)ncn1
InChIInChI=1S/C16H16N6O3/c1-24-13-5-3-2-4-12(13)8-25-16-6-14(18-10-19-16)21-15(23)7-22-11-17-9-20-22/h2-6,9-11H,7-8H2,1H3,(H,18,19,21,23)
InChIKeyGHEHCKXZUWJEKS-UHFFFAOYSA-N
XLogP1.29
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(2-methoxyphenyl)methoxy]pyrimidin-4-yl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[6-[(2-methoxyphenyl)methoxy]pyrimidin-4-yl]-2-(1,2,4-triazol-1-yl)acetamide (CID 71795838) is N-[6-[(2-methoxyphenyl)methoxy]pyrimidin-4-yl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[6-[(2-methoxyphenyl)methoxy]pyrimidin-4-yl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[6-[(2-methoxyphenyl)methoxy]pyrimidin-4-yl]-2-(1,2,4-triazol-1-yl)acetamide is COc1ccccc1COc1cc(NC(=O)Cn2cncn2)ncn1.
What is the InChIKey of N-[6-[(2-methoxyphenyl)methoxy]pyrimidin-4-yl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is GHEHCKXZUWJEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3/c1-24-13-5-3-2-4-12(13)8-25-16-6-14(18-10-19-16)21-15(23)7-22-11-17-9-20-22/h2-6,9-11H,7-8H2,1H3,(H,18,19,21,23).
What are the key properties of N-[6-[(2-methoxyphenyl)methoxy]pyrimidin-4-yl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[6-[(2-methoxyphenyl)methoxy]pyrimidin-4-yl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 340.34 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2-methoxyphenyl)methoxy]pyrimidin-4-yl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 71795838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).