N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)naphthalene-2-carboxamide

C23H19N5O — CID 137090902

IUPACN-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)naphthalene-2-carboxamide
SMILESCC1=CC(c2ccccc2)n2nc(NC(=O)c3ccc4ccccc4c3)nc2N1
InChIInChI=1S/C23H19N5O/c1-15-13-20(17-8-3-2-4-9-17)28-23(24-15)26-22(27-28)25-21(29)19-12-11-16-7-5-6-10-18(16)14-19/h2-14,20H,1H3,(H2,24,25,26,27,29)
InChIKeyWWZMBQHPTPUSOB-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.60
Rot. Bonds3

About N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)naphthalene-2-carboxamide

N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)naphthalene-2-carboxamide (PubChem CID 137090902) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)naphthalene-2-carboxamide
PubChem CID137090902
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC NameN-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)naphthalene-2-carboxamide
SMILESCC1=CC(c2ccccc2)n2nc(NC(=O)c3ccc4ccccc4c3)nc2N1
InChIInChI=1S/C23H19N5O/c1-15-13-20(17-8-3-2-4-9-17)28-23(24-15)26-22(27-28)25-21(29)19-12-11-16-7-5-6-10-18(16)14-19/h2-14,20H,1H3,(H2,24,25,26,27,29)
InChIKeyWWZMBQHPTPUSOB-UHFFFAOYSA-N
XLogP4.60
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.60
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-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)naphthalene-2-carboxamide?
The IUPAC name of N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)naphthalene-2-carboxamide (CID 137090902) is N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)naphthalene-2-carboxamide?
The canonical SMILES for N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)naphthalene-2-carboxamide is CC1=CC(c2ccccc2)n2nc(NC(=O)c3ccc4ccccc4c3)nc2N1.
What is the InChIKey of N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)naphthalene-2-carboxamide?
The InChIKey is WWZMBQHPTPUSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c1-15-13-20(17-8-3-2-4-9-17)28-23(24-15)26-22(27-28)25-21(29)19-12-11-16-7-5-6-10-18(16)14-19/h2-14,20H,1H3,(H2,24,25,26,27,29).
What are the key properties of N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)naphthalene-2-carboxamide?
N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)naphthalene-2-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 4.60, 3 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-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 137090902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).