7-[(4-chloro-3-fluorophenyl)methyl]-N-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide

C16H19ClFN5O — CID 71729378

IUPAC7-[(4-chloro-3-fluorophenyl)methyl]-N-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
SMILESCC(C)NC(=O)c1nnc2n1CCN(Cc1ccc(Cl)c(F)c1)C2
InChIInChI=1S/C16H19ClFN5O/c1-10(2)19-16(24)15-21-20-14-9-22(5-6-23(14)15)8-11-3-4-12(17)13(18)7-11/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,19,24)
InChIKeyLEARZKIWMKKVIC-UHFFFAOYSA-N
MW351.81 g/mol
LogP2.22
Rot. Bonds4

About 7-[(4-chloro-3-fluorophenyl)methyl]-N-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide

7-[(4-chloro-3-fluorophenyl)methyl]-N-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide (PubChem CID 71729378) has the molecular formula C16H19ClFN5O and a molecular weight of 351.81 g/mol. Its IUPAC name is 7-[(4-chloro-3-fluorophenyl)methyl]-N-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-chloro-3-fluorophenyl)methyl]-N-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
PubChem CID71729378
Molecular FormulaC16H19ClFN5O
Molecular Weight351.81 g/mol
Exact Mass351.13
IUPAC Name7-[(4-chloro-3-fluorophenyl)methyl]-N-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
SMILESCC(C)NC(=O)c1nnc2n1CCN(Cc1ccc(Cl)c(F)c1)C2
InChIInChI=1S/C16H19ClFN5O/c1-10(2)19-16(24)15-21-20-14-9-22(5-6-23(14)15)8-11-3-4-12(17)13(18)7-11/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,19,24)
InChIKeyLEARZKIWMKKVIC-UHFFFAOYSA-N
XLogP2.22
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.81
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-chloro-3-fluorophenyl)methyl]-N-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide?
The IUPAC name of 7-[(4-chloro-3-fluorophenyl)methyl]-N-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide (CID 71729378) is 7-[(4-chloro-3-fluorophenyl)methyl]-N-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide.
What is the SMILES notation for 7-[(4-chloro-3-fluorophenyl)methyl]-N-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide?
The canonical SMILES for 7-[(4-chloro-3-fluorophenyl)methyl]-N-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide is CC(C)NC(=O)c1nnc2n1CCN(Cc1ccc(Cl)c(F)c1)C2.
What is the InChIKey of 7-[(4-chloro-3-fluorophenyl)methyl]-N-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide?
The InChIKey is LEARZKIWMKKVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN5O/c1-10(2)19-16(24)15-21-20-14-9-22(5-6-23(14)15)8-11-3-4-12(17)13(18)7-11/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,19,24).
What are the key properties of 7-[(4-chloro-3-fluorophenyl)methyl]-N-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide?
7-[(4-chloro-3-fluorophenyl)methyl]-N-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide has a molecular weight of 351.81 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-chloro-3-fluorophenyl)methyl]-N-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide is sourced from PubChem (CID 71729378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).