N-[4-(difluoromethoxy)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C13H11F2N5O — CID 25263415

IUPACN-[4-(difluoromethoxy)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(OC(F)F)cc2)n2ncnc2n1
InChIInChI=1S/C13H11F2N5O/c1-8-6-11(20-13(18-8)16-7-17-20)19-9-2-4-10(5-3-9)21-12(14)15/h2-7,12,19H,1H3
InChIKeyVPBMXCQRVKYXSF-UHFFFAOYSA-N
MW291.26 g/mol
LogP2.78
Rot. Bonds4

About N-[4-(difluoromethoxy)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[4-(difluoromethoxy)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 25263415) has the molecular formula C13H11F2N5O and a molecular weight of 291.26 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID25263415
Molecular FormulaC13H11F2N5O
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC NameN-[4-(difluoromethoxy)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(OC(F)F)cc2)n2ncnc2n1
InChIInChI=1S/C13H11F2N5O/c1-8-6-11(20-13(18-8)16-7-17-20)19-9-2-4-10(5-3-9)21-12(14)15/h2-7,12,19H,1H3
InChIKeyVPBMXCQRVKYXSF-UHFFFAOYSA-N
XLogP2.78
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 25263415) is N-[4-(difluoromethoxy)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2ccc(OC(F)F)cc2)n2ncnc2n1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VPBMXCQRVKYXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N5O/c1-8-6-11(20-13(18-8)16-7-17-20)19-9-2-4-10(5-3-9)21-12(14)15/h2-7,12,19H,1H3.
What are the key properties of N-[4-(difluoromethoxy)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[4-(difluoromethoxy)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 291.26 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 25263415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).