2-[(E)-[6-(2-chlorophenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine

C15H17ClN6 — CID 135442284

IUPAC2-[(E)-[6-(2-chlorophenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine
SMILESCc1[nH]nc2c1/C(=N/N=C(N)N)CC(c1ccccc1Cl)C2
InChIInChI=1S/C15H17ClN6/c1-8-14-12(20-19-8)6-9(7-13(14)21-22-15(17)18)10-4-2-3-5-11(10)16/h2-5,9H,6-7H2,1H3,(H,19,20)(H4,17,18,22)/b21-13+
InChIKeyXPLYZMJLUJYHJL-FYJGNVAPSA-N
MW316.80 g/mol
LogP2.08
Rot. Bonds2

About 2-[(E)-[6-(2-chlorophenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine

2-[(E)-[6-(2-chlorophenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine (PubChem CID 135442284) has the molecular formula C15H17ClN6 and a molecular weight of 316.80 g/mol. Its IUPAC name is 2-[(E)-[6-(2-chlorophenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(E)-[6-(2-chlorophenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine
PubChem CID135442284
Molecular FormulaC15H17ClN6
Molecular Weight316.80 g/mol
Exact Mass316.12
IUPAC Name2-[(E)-[6-(2-chlorophenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine
SMILESCc1[nH]nc2c1/C(=N/N=C(N)N)CC(c1ccccc1Cl)C2
InChIInChI=1S/C15H17ClN6/c1-8-14-12(20-19-8)6-9(7-13(14)21-22-15(17)18)10-4-2-3-5-11(10)16/h2-5,9H,6-7H2,1H3,(H,19,20)(H4,17,18,22)/b21-13+
InChIKeyXPLYZMJLUJYHJL-FYJGNVAPSA-N
XLogP2.08
TPSA105.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.80
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(E)-[6-(2-chlorophenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine?
The IUPAC name of 2-[(E)-[6-(2-chlorophenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine (CID 135442284) is 2-[(E)-[6-(2-chlorophenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine.
What is the SMILES notation for 2-[(E)-[6-(2-chlorophenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine?
The canonical SMILES for 2-[(E)-[6-(2-chlorophenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine is Cc1[nH]nc2c1/C(=N/N=C(N)N)CC(c1ccccc1Cl)C2.
What is the InChIKey of 2-[(E)-[6-(2-chlorophenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine?
The InChIKey is XPLYZMJLUJYHJL-FYJGNVAPSA-N. The full InChI is InChI=1S/C15H17ClN6/c1-8-14-12(20-19-8)6-9(7-13(14)21-22-15(17)18)10-4-2-3-5-11(10)16/h2-5,9H,6-7H2,1H3,(H,19,20)(H4,17,18,22)/b21-13+.
What are the key properties of 2-[(E)-[6-(2-chlorophenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine?
2-[(E)-[6-(2-chlorophenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine has a molecular weight of 316.80 g/mol, XLogP of 2.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[6-(2-chlorophenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine is sourced from PubChem (CID 135442284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).