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

C18H18ClN7O — CID 163253503

IUPAC(2S)-2-[[6-(4-chlorophenyl)-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]propan-1-ol
SMILESC[C@@H](CO)Nc1nc2c(-c3cnn(C)c3)nc(-c3ccc(Cl)cc3)cn2n1
InChIInChI=1S/C18H18ClN7O/c1-11(10-27)21-18-23-17-16(13-7-20-25(2)8-13)22-15(9-26(17)24-18)12-3-5-14(19)6-4-12/h3-9,11,27H,10H2,1-2H3,(H,21,24)/t11-/m0/s1
InChIKeyVIPPSNUAUGVBTC-NSHDSACASA-N
MW383.84 g/mol
LogP2.64
Rot. Bonds5

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

(2S)-2-[[6-(4-chlorophenyl)-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]propan-1-ol (PubChem CID 163253503) has the molecular formula C18H18ClN7O and a molecular weight of 383.84 g/mol. Its IUPAC name is (2S)-2-[[6-(4-chlorophenyl)-8-(1-methylpyrazol-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-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]propan-1-ol
PubChem CID163253503
Molecular FormulaC18H18ClN7O
Molecular Weight383.84 g/mol
Exact Mass383.13
IUPAC Name(2S)-2-[[6-(4-chlorophenyl)-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]propan-1-ol
SMILESC[C@@H](CO)Nc1nc2c(-c3cnn(C)c3)nc(-c3ccc(Cl)cc3)cn2n1
InChIInChI=1S/C18H18ClN7O/c1-11(10-27)21-18-23-17-16(13-7-20-25(2)8-13)22-15(9-26(17)24-18)12-3-5-14(19)6-4-12/h3-9,11,27H,10H2,1-2H3,(H,21,24)/t11-/m0/s1
InChIKeyVIPPSNUAUGVBTC-NSHDSACASA-N
XLogP2.64
TPSA93.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2S)-2-[[6-(4-chlorophenyl)-8-(1-methylpyrazol-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-methylpyrazol-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-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]propan-1-ol (CID 163253503) is (2S)-2-[[6-(4-chlorophenyl)-8-(1-methylpyrazol-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-methylpyrazol-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-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]propan-1-ol is C[C@@H](CO)Nc1nc2c(-c3cnn(C)c3)nc(-c3ccc(Cl)cc3)cn2n1.
What is the InChIKey of (2S)-2-[[6-(4-chlorophenyl)-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]propan-1-ol?
The InChIKey is VIPPSNUAUGVBTC-NSHDSACASA-N. The full InChI is InChI=1S/C18H18ClN7O/c1-11(10-27)21-18-23-17-16(13-7-20-25(2)8-13)22-15(9-26(17)24-18)12-3-5-14(19)6-4-12/h3-9,11,27H,10H2,1-2H3,(H,21,24)/t11-/m0/s1.
What are the key properties of (2S)-2-[[6-(4-chlorophenyl)-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]propan-1-ol?
(2S)-2-[[6-(4-chlorophenyl)-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]propan-1-ol has a molecular weight of 383.84 g/mol, XLogP of 2.64, 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-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 163253503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).