N-(1-benzofuran-2-ylmethyl)-N,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C17H14F3N5O — CID 133355574

IUPACN-(1-benzofuran-2-ylmethyl)-N,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(C)Cc2cc3ccccc3o2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C17H14F3N5O/c1-10-7-14(25-16(21-10)22-15(23-25)17(18,19)20)24(2)9-12-8-11-5-3-4-6-13(11)26-12/h3-8H,9H2,1-2H3
InChIKeyQNXZAKMQEXZAOI-UHFFFAOYSA-N
MW361.33 g/mol
LogP3.83
Rot. Bonds3

About N-(1-benzofuran-2-ylmethyl)-N,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(1-benzofuran-2-ylmethyl)-N,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133355574) has the molecular formula C17H14F3N5O and a molecular weight of 361.33 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-N,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-N,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133355574
Molecular FormulaC17H14F3N5O
Molecular Weight361.33 g/mol
Exact Mass361.12
IUPAC NameN-(1-benzofuran-2-ylmethyl)-N,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(C)Cc2cc3ccccc3o2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C17H14F3N5O/c1-10-7-14(25-16(21-10)22-15(23-25)17(18,19)20)24(2)9-12-8-11-5-3-4-6-13(11)26-12/h3-8H,9H2,1-2H3
InChIKeyQNXZAKMQEXZAOI-UHFFFAOYSA-N
XLogP3.83
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-N,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-N,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133355574) is N-(1-benzofuran-2-ylmethyl)-N,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-N,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-N,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(N(C)Cc2cc3ccccc3o2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-N,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QNXZAKMQEXZAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O/c1-10-7-14(25-16(21-10)22-15(23-25)17(18,19)20)24(2)9-12-8-11-5-3-4-6-13(11)26-12/h3-8H,9H2,1-2H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-N,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(1-benzofuran-2-ylmethyl)-N,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 361.33 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-N,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133355574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).