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

C19H16ClN5O — CID 3448385

IUPAC4-chloro-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SMILESCC1=CC(c2ccccc2)n2nc(NC(=O)c3ccc(Cl)cc3)nc2N1
InChIInChI=1S/C19H16ClN5O/c1-12-11-16(13-5-3-2-4-6-13)25-19(21-12)23-18(24-25)22-17(26)14-7-9-15(20)10-8-14/h2-11,16H,1H3,(H2,21,22,23,24,26)
InChIKeyYZUSTXUQQPFZDO-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.10
Rot. Bonds3

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

4-chloro-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide (PubChem CID 3448385) has the molecular formula C19H16ClN5O and a molecular weight of 365.82 g/mol. Its IUPAC name is 4-chloro-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
PubChem CID3448385
Molecular FormulaC19H16ClN5O
Molecular Weight365.82 g/mol
Exact Mass365.10
IUPAC Name4-chloro-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SMILESCC1=CC(c2ccccc2)n2nc(NC(=O)c3ccc(Cl)cc3)nc2N1
InChIInChI=1S/C19H16ClN5O/c1-12-11-16(13-5-3-2-4-6-13)25-19(21-12)23-18(24-25)22-17(26)14-7-9-15(20)10-8-14/h2-11,16H,1H3,(H2,21,22,23,24,26)
InChIKeyYZUSTXUQQPFZDO-UHFFFAOYSA-N
XLogP4.10
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide (CID 3448385) is 4-chloro-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is CC1=CC(c2ccccc2)n2nc(NC(=O)c3ccc(Cl)cc3)nc2N1.
What is the InChIKey of 4-chloro-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The InChIKey is YZUSTXUQQPFZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O/c1-12-11-16(13-5-3-2-4-6-13)25-19(21-12)23-18(24-25)22-17(26)14-7-9-15(20)10-8-14/h2-11,16H,1H3,(H2,21,22,23,24,26).
What are the key properties of 4-chloro-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
4-chloro-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide has a molecular weight of 365.82 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is sourced from PubChem (CID 3448385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).