5-methyl-N,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C19H19N5O — CID 135880773

IUPAC5-methyl-N,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1Nc2ncnn2C(c2ccccc2)C1C(=O)Nc1ccccc1
InChIInChI=1S/C19H19N5O/c1-13-16(18(25)23-15-10-6-3-7-11-15)17(14-8-4-2-5-9-14)24-19(22-13)20-12-21-24/h2-13,16-17H,1H3,(H,23,25)(H,20,21,22)
InChIKeyHQOSDIGJABKOAQ-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.94
Rot. Bonds3

About 5-methyl-N,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

5-methyl-N,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135880773) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-methyl-N,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-N,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135880773
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Name5-methyl-N,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1Nc2ncnn2C(c2ccccc2)C1C(=O)Nc1ccccc1
InChIInChI=1S/C19H19N5O/c1-13-16(18(25)23-15-10-6-3-7-11-15)17(14-8-4-2-5-9-14)24-19(22-13)20-12-21-24/h2-13,16-17H,1H3,(H,23,25)(H,20,21,22)
InChIKeyHQOSDIGJABKOAQ-UHFFFAOYSA-N
XLogP2.94
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methyl-N,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

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CID 664858
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CID 24818921
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CID 44332921
CID 44332921
CID 54758312
CID 54758312
CID 71461338
CID 71461338
CID 4891890
CID 4891890
CID 4896840
CID 4896840
CID 2969267
CID 2969267
CID 135410496
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CID 135410504
CID 135410504

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-N,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135880773) is 5-methyl-N,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-N,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-N,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1Nc2ncnn2C(c2ccccc2)C1C(=O)Nc1ccccc1.
What is the InChIKey of 5-methyl-N,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is HQOSDIGJABKOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-13-16(18(25)23-15-10-6-3-7-11-15)17(14-8-4-2-5-9-14)24-19(22-13)20-12-21-24/h2-13,16-17H,1H3,(H,23,25)(H,20,21,22).
What are the key properties of 5-methyl-N,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
5-methyl-N,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135880773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).