N-[bis(4-methoxyphenyl)methyl]-2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)acetamide

C22H25N5O3 — CID 86796823

IUPACN-[bis(4-methoxyphenyl)methyl]-2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)acetamide
SMILESCOc1ccc(C(NC(=O)CN2CCn3ncnc3C2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H25N5O3/c1-29-18-7-3-16(4-8-18)22(17-5-9-19(30-2)10-6-17)25-21(28)14-26-11-12-27-20(13-26)23-15-24-27/h3-10,15,22H,11-14H2,1-2H3,(H,25,28)
InChIKeyXZINWIFABOZXNB-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.02
Rot. Bonds7

About N-[bis(4-methoxyphenyl)methyl]-2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)acetamide

N-[bis(4-methoxyphenyl)methyl]-2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)acetamide (PubChem CID 86796823) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[bis(4-methoxyphenyl)methyl]-2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)acetamide.

Molecular Properties

Compound NameN-[bis(4-methoxyphenyl)methyl]-2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)acetamide
PubChem CID86796823
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-[bis(4-methoxyphenyl)methyl]-2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)acetamide
SMILESCOc1ccc(C(NC(=O)CN2CCn3ncnc3C2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H25N5O3/c1-29-18-7-3-16(4-8-18)22(17-5-9-19(30-2)10-6-17)25-21(28)14-26-11-12-27-20(13-26)23-15-24-27/h3-10,15,22H,11-14H2,1-2H3,(H,25,28)
InChIKeyXZINWIFABOZXNB-UHFFFAOYSA-N
XLogP2.02
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[bis(4-methoxyphenyl)methyl]-2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)acetamide?
The IUPAC name of N-[bis(4-methoxyphenyl)methyl]-2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)acetamide (CID 86796823) is N-[bis(4-methoxyphenyl)methyl]-2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)acetamide.
What is the SMILES notation for N-[bis(4-methoxyphenyl)methyl]-2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)acetamide?
The canonical SMILES for N-[bis(4-methoxyphenyl)methyl]-2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)acetamide is COc1ccc(C(NC(=O)CN2CCn3ncnc3C2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[bis(4-methoxyphenyl)methyl]-2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)acetamide?
The InChIKey is XZINWIFABOZXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-29-18-7-3-16(4-8-18)22(17-5-9-19(30-2)10-6-17)25-21(28)14-26-11-12-27-20(13-26)23-15-24-27/h3-10,15,22H,11-14H2,1-2H3,(H,25,28).
What are the key properties of N-[bis(4-methoxyphenyl)methyl]-2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)acetamide?
N-[bis(4-methoxyphenyl)methyl]-2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)acetamide has a molecular weight of 407.47 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-methoxyphenyl)methyl]-2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)acetamide is sourced from PubChem (CID 86796823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).