N-[[1-(trifluoromethyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

C11H14F3N5O — CID 146088565

IUPACN-[[1-(trifluoromethyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESO=C(NCC1(C(F)(F)F)CC1)N1CCn2cnnc2C1
InChIInChI=1S/C11H14F3N5O/c12-11(13,14)10(1-2-10)6-15-9(20)18-3-4-19-7-16-17-8(19)5-18/h7H,1-6H2,(H,15,20)
InChIKeyDDYKACPXIHAPJP-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.15
Rot. Bonds2

About N-[[1-(trifluoromethyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

N-[[1-(trifluoromethyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (PubChem CID 146088565) has the molecular formula C11H14F3N5O and a molecular weight of 289.26 g/mol. Its IUPAC name is N-[[1-(trifluoromethyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[[1-(trifluoromethyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
PubChem CID146088565
Molecular FormulaC11H14F3N5O
Molecular Weight289.26 g/mol
Exact Mass289.12
IUPAC NameN-[[1-(trifluoromethyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESO=C(NCC1(C(F)(F)F)CC1)N1CCn2cnnc2C1
InChIInChI=1S/C11H14F3N5O/c12-11(13,14)10(1-2-10)6-15-9(20)18-3-4-19-7-16-17-8(19)5-18/h7H,1-6H2,(H,15,20)
InChIKeyDDYKACPXIHAPJP-UHFFFAOYSA-N
XLogP1.15
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(trifluoromethyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The IUPAC name of N-[[1-(trifluoromethyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (CID 146088565) is N-[[1-(trifluoromethyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[[1-(trifluoromethyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[[1-(trifluoromethyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is O=C(NCC1(C(F)(F)F)CC1)N1CCn2cnnc2C1.
What is the InChIKey of N-[[1-(trifluoromethyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The InChIKey is DDYKACPXIHAPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5O/c12-11(13,14)10(1-2-10)6-15-9(20)18-3-4-19-7-16-17-8(19)5-18/h7H,1-6H2,(H,15,20).
What are the key properties of N-[[1-(trifluoromethyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
N-[[1-(trifluoromethyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide has a molecular weight of 289.26 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(trifluoromethyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is sourced from PubChem (CID 146088565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).