(2S)-2-[[6-(4-chlorophenyl)-8-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]propan-1-ol

C19H20ClN7O — CID 163253498

IUPAC(2S)-2-[[6-(4-chlorophenyl)-8-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]propan-1-ol
SMILESCc1c(-c2nc(-c3ccc(Cl)cc3)cn3nc(N[C@@H](C)CO)nc23)cnn1C
InChIInChI=1S/C19H20ClN7O/c1-11(10-28)22-19-24-18-17(15-8-21-26(3)12(15)2)23-16(9-27(18)25-19)13-4-6-14(20)7-5-13/h4-9,11,28H,10H2,1-3H3,(H,22,25)/t11-/m0/s1
InChIKeyGTWDUTDLAUROHY-NSHDSACASA-N
MW397.87 g/mol
LogP2.95
Rot. Bonds5

About (2S)-2-[[6-(4-chlorophenyl)-8-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]propan-1-ol

(2S)-2-[[6-(4-chlorophenyl)-8-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]propan-1-ol (PubChem CID 163253498) has the molecular formula C19H20ClN7O and a molecular weight of 397.87 g/mol. Its IUPAC name is (2S)-2-[[6-(4-chlorophenyl)-8-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[6-(4-chlorophenyl)-8-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]propan-1-ol
PubChem CID163253498
Molecular FormulaC19H20ClN7O
Molecular Weight397.87 g/mol
Exact Mass397.14
IUPAC Name(2S)-2-[[6-(4-chlorophenyl)-8-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]propan-1-ol
SMILESCc1c(-c2nc(-c3ccc(Cl)cc3)cn3nc(N[C@@H](C)CO)nc23)cnn1C
InChIInChI=1S/C19H20ClN7O/c1-11(10-28)22-19-24-18-17(15-8-21-26(3)12(15)2)23-16(9-27(18)25-19)13-4-6-14(20)7-5-13/h4-9,11,28H,10H2,1-3H3,(H,22,25)/t11-/m0/s1
InChIKeyGTWDUTDLAUROHY-NSHDSACASA-N
XLogP2.95
TPSA93.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2S)-2-[[6-(4-chlorophenyl)-8-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[6-(4-chlorophenyl)-8-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]propan-1-ol?
The IUPAC name of (2S)-2-[[6-(4-chlorophenyl)-8-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]propan-1-ol (CID 163253498) is (2S)-2-[[6-(4-chlorophenyl)-8-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[[6-(4-chlorophenyl)-8-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]propan-1-ol?
The canonical SMILES for (2S)-2-[[6-(4-chlorophenyl)-8-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]propan-1-ol is Cc1c(-c2nc(-c3ccc(Cl)cc3)cn3nc(N[C@@H](C)CO)nc23)cnn1C.
What is the InChIKey of (2S)-2-[[6-(4-chlorophenyl)-8-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]propan-1-ol?
The InChIKey is GTWDUTDLAUROHY-NSHDSACASA-N. The full InChI is InChI=1S/C19H20ClN7O/c1-11(10-28)22-19-24-18-17(15-8-21-26(3)12(15)2)23-16(9-27(18)25-19)13-4-6-14(20)7-5-13/h4-9,11,28H,10H2,1-3H3,(H,22,25)/t11-/m0/s1.
What are the key properties of (2S)-2-[[6-(4-chlorophenyl)-8-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]propan-1-ol?
(2S)-2-[[6-(4-chlorophenyl)-8-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]propan-1-ol has a molecular weight of 397.87 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[6-(4-chlorophenyl)-8-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 163253498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).