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

C19H17N5O — CID 4101560

IUPAC5-methyl-2,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(N)=O)C(c2ccccc2)n2nc(-c3ccccc3)nc2N1
InChIInChI=1S/C19H17N5O/c1-12-15(17(20)25)16(13-8-4-2-5-9-13)24-19(21-12)22-18(23-24)14-10-6-3-7-11-14/h2-11,16H,1H3,(H2,20,25)(H,21,22,23)
InChIKeyQCDGIMHKWAXAOU-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.72
Rot. Bonds3

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

5-methyl-2,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 4101560) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-methyl-2,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-2,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID4101560
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name5-methyl-2,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(N)=O)C(c2ccccc2)n2nc(-c3ccccc3)nc2N1
InChIInChI=1S/C19H17N5O/c1-12-15(17(20)25)16(13-8-4-2-5-9-13)24-19(21-12)22-18(23-24)14-10-6-3-7-11-14/h2-11,16H,1H3,(H2,20,25)(H,21,22,23)
InChIKeyQCDGIMHKWAXAOU-UHFFFAOYSA-N
XLogP2.72
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-2,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 4101560) is 5-methyl-2,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-2,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-2,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(N)=O)C(c2ccccc2)n2nc(-c3ccccc3)nc2N1.
What is the InChIKey of 5-methyl-2,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is QCDGIMHKWAXAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-12-15(17(20)25)16(13-8-4-2-5-9-13)24-19(21-12)22-18(23-24)14-10-6-3-7-11-14/h2-11,16H,1H3,(H2,20,25)(H,21,22,23).
What are the key properties of 5-methyl-2,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
5-methyl-2,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4101560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).