2-[(Z)-[6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine;hydrochloride

C15H19ClN6O — CID 135581655

IUPAC2-[(Z)-[6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine;hydrochloride
SMILESCc1[nH]nc2c1/C(=N\N=C(N)N)CC(c1ccccc1O)C2.Cl
InChIInChI=1S/C15H18N6O.ClH/c1-8-14-11(19-18-8)6-9(7-12(14)20-21-15(16)17)10-4-2-3-5-13(10)22;/h2-5,9,22H,6-7H2,1H3,(H,18,19)(H4,16,17,21);1H/b20-12-;
InChIKeyYYEGZLXJNATHRE-GRWWMUSUSA-N
MW334.81 g/mol
LogP1.55
Rot. Bonds2

About 2-[(Z)-[6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine;hydrochloride

2-[(Z)-[6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine;hydrochloride (PubChem CID 135581655) has the molecular formula C15H19ClN6O and a molecular weight of 334.81 g/mol. Its IUPAC name is 2-[(Z)-[6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(Z)-[6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine;hydrochloride
PubChem CID135581655
Molecular FormulaC15H19ClN6O
Molecular Weight334.81 g/mol
Exact Mass334.13
IUPAC Name2-[(Z)-[6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine;hydrochloride
SMILESCc1[nH]nc2c1/C(=N\N=C(N)N)CC(c1ccccc1O)C2.Cl
InChIInChI=1S/C15H18N6O.ClH/c1-8-14-11(19-18-8)6-9(7-12(14)20-21-15(16)17)10-4-2-3-5-13(10)22;/h2-5,9,22H,6-7H2,1H3,(H,18,19)(H4,16,17,21);1H/b20-12-;
InChIKeyYYEGZLXJNATHRE-GRWWMUSUSA-N
XLogP1.55
TPSA125.67 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine;hydrochloride?
The IUPAC name of 2-[(Z)-[6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine;hydrochloride (CID 135581655) is 2-[(Z)-[6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(Z)-[6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine;hydrochloride?
The canonical SMILES for 2-[(Z)-[6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine;hydrochloride is Cc1[nH]nc2c1/C(=N\N=C(N)N)CC(c1ccccc1O)C2.Cl.
What is the InChIKey of 2-[(Z)-[6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine;hydrochloride?
The InChIKey is YYEGZLXJNATHRE-GRWWMUSUSA-N. The full InChI is InChI=1S/C15H18N6O.ClH/c1-8-14-11(19-18-8)6-9(7-12(14)20-21-15(16)17)10-4-2-3-5-13(10)22;/h2-5,9,22H,6-7H2,1H3,(H,18,19)(H4,16,17,21);1H/b20-12-;.
What are the key properties of 2-[(Z)-[6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine;hydrochloride?
2-[(Z)-[6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine;hydrochloride has a molecular weight of 334.81 g/mol, XLogP of 1.55, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine;hydrochloride is sourced from PubChem (CID 135581655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).