N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetamide

C20H22N6O2 — CID 70788318

IUPACN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetamide
SMILESCCn1c(-c2ccccc2)nn(CC(=O)NCc2ncc3c(n2)CCC3)c1=O
InChIInChI=1S/C20H22N6O2/c1-2-25-19(14-7-4-3-5-8-14)24-26(20(25)28)13-18(27)22-12-17-21-11-15-9-6-10-16(15)23-17/h3-5,7-8,11H,2,6,9-10,12-13H2,1H3,(H,22,27)
InChIKeyAUYMFXFVYAKGJM-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.33
Rot. Bonds6

About N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetamide

N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetamide (PubChem CID 70788318) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetamide
PubChem CID70788318
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetamide
SMILESCCn1c(-c2ccccc2)nn(CC(=O)NCc2ncc3c(n2)CCC3)c1=O
InChIInChI=1S/C20H22N6O2/c1-2-25-19(14-7-4-3-5-8-14)24-26(20(25)28)13-18(27)22-12-17-21-11-15-9-6-10-16(15)23-17/h3-5,7-8,11H,2,6,9-10,12-13H2,1H3,(H,22,27)
InChIKeyAUYMFXFVYAKGJM-UHFFFAOYSA-N
XLogP1.33
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetamide (CID 70788318) is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetamide is CCn1c(-c2ccccc2)nn(CC(=O)NCc2ncc3c(n2)CCC3)c1=O.
What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetamide?
The InChIKey is AUYMFXFVYAKGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-2-25-19(14-7-4-3-5-8-14)24-26(20(25)28)13-18(27)22-12-17-21-11-15-9-6-10-16(15)23-17/h3-5,7-8,11H,2,6,9-10,12-13H2,1H3,(H,22,27).
What are the key properties of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetamide?
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetamide has a molecular weight of 378.44 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 70788318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).