N-[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C18H21N5O — CID 51851731

IUPACN-[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC[C@@H](C)c1ccc([C@@H](C)NC(=O)c2nc3ncccn3n2)cc1
InChIInChI=1S/C18H21N5O/c1-4-12(2)14-6-8-15(9-7-14)13(3)20-17(24)16-21-18-19-10-5-11-23(18)22-16/h5-13H,4H2,1-3H3,(H,20,24)/t12-,13-/m1/s1
InChIKeyWAHTVDRTUWBVOR-CHWSQXEVSA-N
MW323.40 g/mol
LogP3.13
Rot. Bonds5

About N-[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 51851731) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID51851731
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC[C@@H](C)c1ccc([C@@H](C)NC(=O)c2nc3ncccn3n2)cc1
InChIInChI=1S/C18H21N5O/c1-4-12(2)14-6-8-15(9-7-14)13(3)20-17(24)16-21-18-19-10-5-11-23(18)22-16/h5-13H,4H2,1-3H3,(H,20,24)/t12-,13-/m1/s1
InChIKeyWAHTVDRTUWBVOR-CHWSQXEVSA-N
XLogP3.13
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 51392244
N-[(1S)-1-(1-ethylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 51392266
N-[1-(2-ethylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 19583682
N-[1-(4-tert-butylphenyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824657
N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315733
N-[1-(azepan-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46958435
7-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 55675387
N-[(1S)-1-(4-chlorophenyl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 8751718
3-bromo-N-[1-(4-butan-2-ylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462144
N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide
CID 91294472
N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 94671546
N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824572

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 51851731) is N-[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CC[C@@H](C)c1ccc([C@@H](C)NC(=O)c2nc3ncccn3n2)cc1.
What is the InChIKey of N-[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is WAHTVDRTUWBVOR-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H21N5O/c1-4-12(2)14-6-8-15(9-7-14)13(3)20-17(24)16-21-18-19-10-5-11-23(18)22-16/h5-13H,4H2,1-3H3,(H,20,24)/t12-,13-/m1/s1.
What are the key properties of N-[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 51851731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).