N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide

C21H23N5O — CID 665613

IUPACN-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide
SMILESCC1CC(c2ccccc2)n2nc(NC(=O)CCc3ccccc3)nc2N1
InChIInChI=1S/C21H23N5O/c1-15-14-18(17-10-6-3-7-11-17)26-21(22-15)24-20(25-26)23-19(27)13-12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3,(H2,22,23,24,25,27)
InChIKeyAYPOGAKWEVZOEN-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.64
Rot. Bonds5

About N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide

N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide (PubChem CID 665613) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide
PubChem CID665613
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide
SMILESCC1CC(c2ccccc2)n2nc(NC(=O)CCc3ccccc3)nc2N1
InChIInChI=1S/C21H23N5O/c1-15-14-18(17-10-6-3-7-11-17)26-21(22-15)24-20(25-26)23-19(27)13-12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3,(H2,22,23,24,25,27)
InChIKeyAYPOGAKWEVZOEN-UHFFFAOYSA-N
XLogP3.64
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide?
The IUPAC name of N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide (CID 665613) is N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide is CC1CC(c2ccccc2)n2nc(NC(=O)CCc3ccccc3)nc2N1.
What is the InChIKey of N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide?
The InChIKey is AYPOGAKWEVZOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-15-14-18(17-10-6-3-7-11-17)26-21(22-15)24-20(25-26)23-19(27)13-12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3,(H2,22,23,24,25,27).
What are the key properties of N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide?
N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide has a molecular weight of 361.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 665613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).