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

C16H16F3N5O2 — CID 172663054

IUPAC1-cyclopropyl-4-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one
SMILESCc1ccn(C2CC2)c(=O)c1C(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C16H16F3N5O2/c1-9-4-5-23(10-2-3-10)14(26)12(9)13(25)22-6-7-24-11(8-22)20-21-15(24)16(17,18)19/h4-5,10H,2-3,6-8H2,1H3
InChIKeyLTCOVFVXCUDDGG-UHFFFAOYSA-N
MW367.33 g/mol
LogP1.76
Rot. Bonds2

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

1-cyclopropyl-4-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one (PubChem CID 172663054) has the molecular formula C16H16F3N5O2 and a molecular weight of 367.33 g/mol. Its IUPAC name is 1-cyclopropyl-4-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one
PubChem CID172663054
Molecular FormulaC16H16F3N5O2
Molecular Weight367.33 g/mol
Exact Mass367.13
IUPAC Name1-cyclopropyl-4-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one
SMILESCc1ccn(C2CC2)c(=O)c1C(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C16H16F3N5O2/c1-9-4-5-23(10-2-3-10)14(26)12(9)13(25)22-6-7-24-11(8-22)20-21-15(24)16(17,18)19/h4-5,10H,2-3,6-8H2,1H3
InChIKeyLTCOVFVXCUDDGG-UHFFFAOYSA-N
XLogP1.76
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyethyl)-4,6-dimethyl-3-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyridin-2(1H)-one
CID 91822670
1-(3-methoxypropyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one
CID 91956776
1-(3-methoxypropyl)-3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one
CID 91957007
1-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-one
CID 154793808
4-methyl-1-(3-piperidinylmethyl)-3-{[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]carbonyl}-2(1H)-pyridinone hydrochloride
CID 172663694
4-methyl-1-[2-(4-morpholinyl)ethyl]-3-{[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]carbonyl}-2(1H)-pyridinone
CID 172666273
1,6-dimethyl-3-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyridin-2-one
CID 53588846
1-[3-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]pyridin-2-one
CID 132350321
3-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-5-ethyl-1H-pyridin-2-one
CID 154768128
1-cyclopropyl-5-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one
CID 154768129
1-[2-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]pyridin-2-one
CID 154768145
1-{3-[(5S)-3-isopropyl-5-methyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-3-oxopropyl}-2(1H)-pyridinone
CID 164688151

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one?
The IUPAC name of 1-cyclopropyl-4-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one (CID 172663054) is 1-cyclopropyl-4-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-4-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one is Cc1ccn(C2CC2)c(=O)c1C(=O)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 1-cyclopropyl-4-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one?
The InChIKey is LTCOVFVXCUDDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O2/c1-9-4-5-23(10-2-3-10)14(26)12(9)13(25)22-6-7-24-11(8-22)20-21-15(24)16(17,18)19/h4-5,10H,2-3,6-8H2,1H3.
What are the key properties of 1-cyclopropyl-4-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one?
1-cyclopropyl-4-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one has a molecular weight of 367.33 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one is sourced from PubChem (CID 172663054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).