N-(3-fluoro-4-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C15H14FN5O — CID 26737028

IUPACN-(3-fluoro-4-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)Nc3ccc(C)c(F)c3)nc2n1
InChIInChI=1S/C15H14FN5O/c1-8-4-5-11(7-12(8)16)18-14(22)13-19-15-17-9(2)6-10(3)21(15)20-13/h4-7H,1-3H3,(H,18,22)
InChIKeyMGNFIPLLWRAZQN-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.44
Rot. Bonds2

About N-(3-fluoro-4-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-(3-fluoro-4-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 26737028) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID26737028
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC NameN-(3-fluoro-4-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)Nc3ccc(C)c(F)c3)nc2n1
InChIInChI=1S/C15H14FN5O/c1-8-4-5-11(7-12(8)16)18-14(22)13-19-15-17-9(2)6-10(3)21(15)20-13/h4-7H,1-3H3,(H,18,22)
InChIKeyMGNFIPLLWRAZQN-UHFFFAOYSA-N
XLogP2.44
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-iodo-4-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 7925593
N-(4-carbamoylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 8885438
N-[4-bromo-3-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26197914
N-(2-fluoro-4-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17404340
5,7-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2671499
N-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2476515
5,7-dimethyl-N-[3-(propylcarbamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46485618
5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 609815
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2569760
5,7-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2117306
N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 37357505
N-[6-(4-chlorophenoxy)-3-pyridinyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 60582189

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 26737028) is N-(3-fluoro-4-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)Nc3ccc(C)c(F)c3)nc2n1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is MGNFIPLLWRAZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O/c1-8-4-5-11(7-12(8)16)18-14(22)13-19-15-17-9(2)6-10(3)21(15)20-13/h4-7H,1-3H3,(H,18,22).
What are the key properties of N-(3-fluoro-4-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(3-fluoro-4-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 299.31 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 26737028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).