6-(4-chlorophenyl)-2-[(2S)-1-methoxypropan-2-yl]oxy-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazine

C19H19ClN6O2 — CID 164524962

IUPAC6-(4-chlorophenyl)-2-[(2S)-1-methoxypropan-2-yl]oxy-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCOC[C@H](C)Oc1nc2c(-c3cnn(C)c3)nc(-c3ccc(Cl)cc3)cn2n1
InChIInChI=1S/C19H19ClN6O2/c1-12(11-27-3)28-19-23-18-17(14-8-21-25(2)9-14)22-16(10-26(18)24-19)13-4-6-15(20)7-5-13/h4-10,12H,11H2,1-3H3/t12-/m0/s1
InChIKeyAHBFHDMHLVKGBS-LBPRGKRZSA-N
MW398.85 g/mol
LogP3.26
Rot. Bonds6

About 6-(4-chlorophenyl)-2-[(2S)-1-methoxypropan-2-yl]oxy-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazine

6-(4-chlorophenyl)-2-[(2S)-1-methoxypropan-2-yl]oxy-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 164524962) has the molecular formula C19H19ClN6O2 and a molecular weight of 398.85 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-[(2S)-1-methoxypropan-2-yl]oxy-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-[(2S)-1-methoxypropan-2-yl]oxy-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID164524962
Molecular FormulaC19H19ClN6O2
Molecular Weight398.85 g/mol
Exact Mass398.13
IUPAC Name6-(4-chlorophenyl)-2-[(2S)-1-methoxypropan-2-yl]oxy-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCOC[C@H](C)Oc1nc2c(-c3cnn(C)c3)nc(-c3ccc(Cl)cc3)cn2n1
InChIInChI=1S/C19H19ClN6O2/c1-12(11-27-3)28-19-23-18-17(14-8-21-25(2)9-14)22-16(10-26(18)24-19)13-4-6-15(20)7-5-13/h4-10,12H,11H2,1-3H3/t12-/m0/s1
InChIKeyAHBFHDMHLVKGBS-LBPRGKRZSA-N
XLogP3.26
TPSA79.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-[(2S)-1-methoxypropan-2-yl]oxy-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 6-(4-chlorophenyl)-2-[(2S)-1-methoxypropan-2-yl]oxy-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazine (CID 164524962) is 6-(4-chlorophenyl)-2-[(2S)-1-methoxypropan-2-yl]oxy-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 6-(4-chlorophenyl)-2-[(2S)-1-methoxypropan-2-yl]oxy-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 6-(4-chlorophenyl)-2-[(2S)-1-methoxypropan-2-yl]oxy-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazine is COC[C@H](C)Oc1nc2c(-c3cnn(C)c3)nc(-c3ccc(Cl)cc3)cn2n1.
What is the InChIKey of 6-(4-chlorophenyl)-2-[(2S)-1-methoxypropan-2-yl]oxy-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is AHBFHDMHLVKGBS-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19ClN6O2/c1-12(11-27-3)28-19-23-18-17(14-8-21-25(2)9-14)22-16(10-26(18)24-19)13-4-6-15(20)7-5-13/h4-10,12H,11H2,1-3H3/t12-/m0/s1.
What are the key properties of 6-(4-chlorophenyl)-2-[(2S)-1-methoxypropan-2-yl]oxy-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazine?
6-(4-chlorophenyl)-2-[(2S)-1-methoxypropan-2-yl]oxy-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 398.85 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-[(2S)-1-methoxypropan-2-yl]oxy-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 164524962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).