2,2-dimethyl-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide

C16H18N6O — CID 60507623

IUPAC2,2-dimethyl-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
SMILESCC(C)(CNc1cc(-c2ccccc2)nc2ncnn12)C(N)=O
InChIInChI=1S/C16H18N6O/c1-16(2,14(17)23)9-18-13-8-12(11-6-4-3-5-7-11)21-15-19-10-20-22(13)15/h3-8,10,18H,9H2,1-2H3,(H2,17,23)
InChIKeyFPMGDSDAOONYGF-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.71
Rot. Bonds5

About 2,2-dimethyl-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide

2,2-dimethyl-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide (PubChem CID 60507623) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
PubChem CID60507623
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name2,2-dimethyl-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
SMILESCC(C)(CNc1cc(-c2ccccc2)nc2ncnn12)C(N)=O
InChIInChI=1S/C16H18N6O/c1-16(2,14(17)23)9-18-13-8-12(11-6-4-3-5-7-11)21-15-19-10-20-22(13)15/h3-8,10,18H,9H2,1-2H3,(H2,17,23)
InChIKeyFPMGDSDAOONYGF-UHFFFAOYSA-N
XLogP1.71
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide?
The IUPAC name of 2,2-dimethyl-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide (CID 60507623) is 2,2-dimethyl-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide.
What is the SMILES notation for 2,2-dimethyl-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide?
The canonical SMILES for 2,2-dimethyl-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide is CC(C)(CNc1cc(-c2ccccc2)nc2ncnn12)C(N)=O.
What is the InChIKey of 2,2-dimethyl-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide?
The InChIKey is FPMGDSDAOONYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-16(2,14(17)23)9-18-13-8-12(11-6-4-3-5-7-11)21-15-19-10-20-22(13)15/h3-8,10,18H,9H2,1-2H3,(H2,17,23).
What are the key properties of 2,2-dimethyl-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide?
2,2-dimethyl-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide has a molecular weight of 310.36 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide is sourced from PubChem (CID 60507623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).