7-[(5-fluoro-2-methoxyphenyl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C16H21FN4O — CID 56780149

IUPAC7-[(5-fluoro-2-methoxyphenyl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1ccc(F)cc1CN1CCn2c(nnc2C(C)C)C1
InChIInChI=1S/C16H21FN4O/c1-11(2)16-19-18-15-10-20(6-7-21(15)16)9-12-8-13(17)4-5-14(12)22-3/h4-5,8,11H,6-7,9-10H2,1-3H3
InChIKeyRSSKQAKYVSOWIE-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.57
Rot. Bonds4

About 7-[(5-fluoro-2-methoxyphenyl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-[(5-fluoro-2-methoxyphenyl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 56780149) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is 7-[(5-fluoro-2-methoxyphenyl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-[(5-fluoro-2-methoxyphenyl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID56780149
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Name7-[(5-fluoro-2-methoxyphenyl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1ccc(F)cc1CN1CCn2c(nnc2C(C)C)C1
InChIInChI=1S/C16H21FN4O/c1-11(2)16-19-18-15-10-20(6-7-21(15)16)9-12-8-13(17)4-5-14(12)22-3/h4-5,8,11H,6-7,9-10H2,1-3H3
InChIKeyRSSKQAKYVSOWIE-UHFFFAOYSA-N
XLogP2.57
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(5-fluoro-2-methoxyphenyl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-[(5-fluoro-2-methoxyphenyl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 56780149) is 7-[(5-fluoro-2-methoxyphenyl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-[(5-fluoro-2-methoxyphenyl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-[(5-fluoro-2-methoxyphenyl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is COc1ccc(F)cc1CN1CCn2c(nnc2C(C)C)C1.
What is the InChIKey of 7-[(5-fluoro-2-methoxyphenyl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is RSSKQAKYVSOWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O/c1-11(2)16-19-18-15-10-20(6-7-21(15)16)9-12-8-13(17)4-5-14(12)22-3/h4-5,8,11H,6-7,9-10H2,1-3H3.
What are the key properties of 7-[(5-fluoro-2-methoxyphenyl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-[(5-fluoro-2-methoxyphenyl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 304.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-fluoro-2-methoxyphenyl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 56780149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).