[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-6-ylmethanone

C19H19N5O — CID 164692394

IUPAC[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-6-ylmethanone
SMILESC[C@H]1CN(C(=O)c2ccc3ncccc3c2)Cc2nnc(C3CC3)n21
InChIInChI=1S/C19H19N5O/c1-12-10-23(11-17-21-22-18(24(12)17)13-4-5-13)19(25)15-6-7-16-14(9-15)3-2-8-20-16/h2-3,6-9,12-13H,4-5,10-11H2,1H3/t12-/m0/s1
InChIKeySMGORPXSPPAPMC-LBPRGKRZSA-N
MW333.40 g/mol
LogP2.92
Rot. Bonds2

About [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-6-ylmethanone

[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-6-ylmethanone (PubChem CID 164692394) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-6-ylmethanone
PubChem CID164692394
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-6-ylmethanone
SMILESC[C@H]1CN(C(=O)c2ccc3ncccc3c2)Cc2nnc(C3CC3)n21
InChIInChI=1S/C19H19N5O/c1-12-10-23(11-17-21-22-18(24(12)17)13-4-5-13)19(25)15-6-7-16-14(9-15)3-2-8-20-16/h2-3,6-9,12-13H,4-5,10-11H2,1H3/t12-/m0/s1
InChIKeySMGORPXSPPAPMC-LBPRGKRZSA-N
XLogP2.92
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-6-ylmethanone?
The IUPAC name of [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-6-ylmethanone (CID 164692394) is [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-6-ylmethanone is C[C@H]1CN(C(=O)c2ccc3ncccc3c2)Cc2nnc(C3CC3)n21.
What is the InChIKey of [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-6-ylmethanone?
The InChIKey is SMGORPXSPPAPMC-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19N5O/c1-12-10-23(11-17-21-22-18(24(12)17)13-4-5-13)19(25)15-6-7-16-14(9-15)3-2-8-20-16/h2-3,6-9,12-13H,4-5,10-11H2,1H3/t12-/m0/s1.
What are the key properties of [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-6-ylmethanone?
[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-6-ylmethanone has a molecular weight of 333.40 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 164692394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).