[4-(difluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone

C18H17F2N5O2 — CID 118471229

IUPAC[4-(difluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1cc(C2CN(C(=O)c3ccc(C(F)F)cc3)CCO2)n2ncnc2n1
InChIInChI=1S/C18H17F2N5O2/c1-11-8-14(25-18(23-11)21-10-22-25)15-9-24(6-7-27-15)17(26)13-4-2-12(3-5-13)16(19)20/h2-5,8,10,15-16H,6-7,9H2,1H3
InChIKeyPWWRFEXRNVFFOS-UHFFFAOYSA-N
MW373.36 g/mol
LogP2.58
Rot. Bonds3

About [4-(difluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone

[4-(difluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (PubChem CID 118471229) has the molecular formula C18H17F2N5O2 and a molecular weight of 373.36 g/mol. Its IUPAC name is [4-(difluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[4-(difluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
PubChem CID118471229
Molecular FormulaC18H17F2N5O2
Molecular Weight373.36 g/mol
Exact Mass373.14
IUPAC Name[4-(difluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1cc(C2CN(C(=O)c3ccc(C(F)F)cc3)CCO2)n2ncnc2n1
InChIInChI=1S/C18H17F2N5O2/c1-11-8-14(25-18(23-11)21-10-22-25)15-9-24(6-7-27-15)17(26)13-4-2-12(3-5-13)16(19)20/h2-5,8,10,15-16H,6-7,9H2,1H3
InChIKeyPWWRFEXRNVFFOS-UHFFFAOYSA-N
XLogP2.58
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The IUPAC name of [4-(difluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (CID 118471229) is [4-(difluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.
What is the SMILES notation for [4-(difluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The canonical SMILES for [4-(difluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is Cc1cc(C2CN(C(=O)c3ccc(C(F)F)cc3)CCO2)n2ncnc2n1.
What is the InChIKey of [4-(difluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The InChIKey is PWWRFEXRNVFFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O2/c1-11-8-14(25-18(23-11)21-10-22-25)15-9-24(6-7-27-15)17(26)13-4-2-12(3-5-13)16(19)20/h2-5,8,10,15-16H,6-7,9H2,1H3.
What are the key properties of [4-(difluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
[4-(difluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone has a molecular weight of 373.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 118471229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).