7-(cyclopropylmethyl)-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C16H17F3N4O — CID 134788663

IUPAC7-(cyclopropylmethyl)-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(-c2ccc(C(F)(F)F)cc2)nc2n1CCN(CC1CC1)C2
InChIInChI=1S/C16H17F3N4O/c17-16(18,19)12-3-5-13(6-4-12)23-15(24)22-8-7-21(9-11-1-2-11)10-14(22)20-23/h3-6,11H,1-2,7-10H2
InChIKeyVPZMHJHWHKPBDA-UHFFFAOYSA-N
MW338.33 g/mol
LogP2.28
Rot. Bonds3

About 7-(cyclopropylmethyl)-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

7-(cyclopropylmethyl)-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 134788663) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 7-(cyclopropylmethyl)-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(cyclopropylmethyl)-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID134788663
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name7-(cyclopropylmethyl)-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(-c2ccc(C(F)(F)F)cc2)nc2n1CCN(CC1CC1)C2
InChIInChI=1S/C16H17F3N4O/c17-16(18,19)12-3-5-13(6-4-12)23-15(24)22-8-7-21(9-11-1-2-11)10-14(22)20-23/h3-6,11H,1-2,7-10H2
InChIKeyVPZMHJHWHKPBDA-UHFFFAOYSA-N
XLogP2.28
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethyl)-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 7-(cyclopropylmethyl)-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 134788663) is 7-(cyclopropylmethyl)-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 7-(cyclopropylmethyl)-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 7-(cyclopropylmethyl)-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=c1n(-c2ccc(C(F)(F)F)cc2)nc2n1CCN(CC1CC1)C2.
What is the InChIKey of 7-(cyclopropylmethyl)-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is VPZMHJHWHKPBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c17-16(18,19)12-3-5-13(6-4-12)23-15(24)22-8-7-21(9-11-1-2-11)10-14(22)20-23/h3-6,11H,1-2,7-10H2.
What are the key properties of 7-(cyclopropylmethyl)-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
7-(cyclopropylmethyl)-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 338.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethyl)-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 134788663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).