1-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]cyclopropane-1-carboxamide

C17H16F3N5O2 — CID 175884269

IUPAC1-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(c2ccc(C(=O)N3CCn4c(nnc4C(F)(F)F)C3)cc2)CC1
InChIInChI=1S/C17H16F3N5O2/c18-17(19,20)15-23-22-12-9-24(7-8-25(12)15)13(26)10-1-3-11(4-2-10)16(5-6-16)14(21)27/h1-4H,5-9H2,(H2,21,27)
InChIKeyXAUYEINNFHQHLU-UHFFFAOYSA-N
MW379.34 g/mol
LogP1.47
Rot. Bonds3

About 1-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]cyclopropane-1-carboxamide

1-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 175884269) has the molecular formula C17H16F3N5O2 and a molecular weight of 379.34 g/mol. Its IUPAC name is 1-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]cyclopropane-1-carboxamide
PubChem CID175884269
Molecular FormulaC17H16F3N5O2
Molecular Weight379.34 g/mol
Exact Mass379.13
IUPAC Name1-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(c2ccc(C(=O)N3CCn4c(nnc4C(F)(F)F)C3)cc2)CC1
InChIInChI=1S/C17H16F3N5O2/c18-17(19,20)15-23-22-12-9-24(7-8-25(12)15)13(26)10-1-3-11(4-2-10)16(5-6-16)14(21)27/h1-4H,5-9H2,(H2,21,27)
InChIKeyXAUYEINNFHQHLU-UHFFFAOYSA-N
XLogP1.47
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]cyclopropane-1-carboxamide (CID 175884269) is 1-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]cyclopropane-1-carboxamide is NC(=O)C1(c2ccc(C(=O)N3CCn4c(nnc4C(F)(F)F)C3)cc2)CC1.
What is the InChIKey of 1-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is XAUYEINNFHQHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O2/c18-17(19,20)15-23-22-12-9-24(7-8-25(12)15)13(26)10-1-3-11(4-2-10)16(5-6-16)14(21)27/h1-4H,5-9H2,(H2,21,27).
What are the key properties of 1-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]cyclopropane-1-carboxamide?
1-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 379.34 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 175884269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).