hydron;5-[[5-(2-hydroxy-6-methoxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride

C15H15ClN6O2+2 — CID 173055366

IUPAChydron;5-[[5-(2-hydroxy-6-methoxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride
SMILESCOc1cccc(O)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1.Cl.[H+].[H+]
InChIInChI=1S/C15H12N6O2.ClH/c1-23-12-4-2-3-11(22)15(12)10-5-13(21-20-10)19-14-8-17-9(6-16)7-18-14;/h2-5,7-8,22H,1H3,(H2,18,19,20,21);1H/p+2
InChIKeyMDZFRHKEUWKAEY-UHFFFAOYSA-P
MW346.78 g/mol
LogP2.84
Rot. Bonds4

About hydron;5-[[5-(2-hydroxy-6-methoxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride

hydron;5-[[5-(2-hydroxy-6-methoxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride (PubChem CID 173055366) has the molecular formula C15H15ClN6O2+2 and a molecular weight of 346.78 g/mol. Its IUPAC name is hydron;5-[[5-(2-hydroxy-6-methoxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride.

Molecular Properties

Compound Namehydron;5-[[5-(2-hydroxy-6-methoxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride
PubChem CID173055366
Molecular FormulaC15H15ClN6O2+2
Molecular Weight346.78 g/mol
Exact Mass346.09
IUPAC Namehydron;5-[[5-(2-hydroxy-6-methoxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride
SMILESCOc1cccc(O)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1.Cl.[H+].[H+]
InChIInChI=1S/C15H12N6O2.ClH/c1-23-12-4-2-3-11(22)15(12)10-5-13(21-20-10)19-14-8-17-9(6-16)7-18-14;/h2-5,7-8,22H,1H3,(H2,18,19,20,21);1H/p+2
InChIKeyMDZFRHKEUWKAEY-UHFFFAOYSA-P
XLogP2.84
TPSA119.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.78
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of hydron;5-[[5-(2-hydroxy-6-methoxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride?
The IUPAC name of hydron;5-[[5-(2-hydroxy-6-methoxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride (CID 173055366) is hydron;5-[[5-(2-hydroxy-6-methoxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride.
What is the SMILES notation for hydron;5-[[5-(2-hydroxy-6-methoxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride?
The canonical SMILES for hydron;5-[[5-(2-hydroxy-6-methoxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride is COc1cccc(O)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1.Cl.[H+].[H+].
What is the InChIKey of hydron;5-[[5-(2-hydroxy-6-methoxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride?
The InChIKey is MDZFRHKEUWKAEY-UHFFFAOYSA-P. The full InChI is InChI=1S/C15H12N6O2.ClH/c1-23-12-4-2-3-11(22)15(12)10-5-13(21-20-10)19-14-8-17-9(6-16)7-18-14;/h2-5,7-8,22H,1H3,(H2,18,19,20,21);1H/p+2.
What are the key properties of hydron;5-[[5-(2-hydroxy-6-methoxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride?
hydron;5-[[5-(2-hydroxy-6-methoxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride has a molecular weight of 346.78 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;5-[[5-(2-hydroxy-6-methoxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride is sourced from PubChem (CID 173055366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).