(1R)-1,3,3-trimethyl-2,4-dihydroisoquinoline-1-carbohydrazide

C13H19N3O — CID 879158

IUPAC(1R)-1,3,3-trimethyl-2,4-dihydroisoquinoline-1-carbohydrazide
SMILESCC1(C)Cc2ccccc2[C@](C)(C(=O)NN)N1
InChIInChI=1S/C13H19N3O/c1-12(2)8-9-6-4-5-7-10(9)13(3,16-12)11(17)15-14/h4-7,16H,8,14H2,1-3H3,(H,15,17)/t13-/m1/s1
InChIKeyZVAVWQSAEPTEJN-CYBMUJFWSA-N
MW233.31 g/mol
LogP0.82
Rot. Bonds1

About (1R)-1,3,3-trimethyl-2,4-dihydroisoquinoline-1-carbohydrazide

(1R)-1,3,3-trimethyl-2,4-dihydroisoquinoline-1-carbohydrazide (PubChem CID 879158) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (1R)-1,3,3-trimethyl-2,4-dihydroisoquinoline-1-carbohydrazide.

Molecular Properties

Compound Name(1R)-1,3,3-trimethyl-2,4-dihydroisoquinoline-1-carbohydrazide
PubChem CID879158
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(1R)-1,3,3-trimethyl-2,4-dihydroisoquinoline-1-carbohydrazide
SMILESCC1(C)Cc2ccccc2[C@](C)(C(=O)NN)N1
InChIInChI=1S/C13H19N3O/c1-12(2)8-9-6-4-5-7-10(9)13(3,16-12)11(17)15-14/h4-7,16H,8,14H2,1-3H3,(H,15,17)/t13-/m1/s1
InChIKeyZVAVWQSAEPTEJN-CYBMUJFWSA-N
XLogP0.82
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 (1R)-1,3,3-trimethyl-2,4-dihydroisoquinoline-1-carbohydrazide?
The IUPAC name of (1R)-1,3,3-trimethyl-2,4-dihydroisoquinoline-1-carbohydrazide (CID 879158) is (1R)-1,3,3-trimethyl-2,4-dihydroisoquinoline-1-carbohydrazide.
What is the SMILES notation for (1R)-1,3,3-trimethyl-2,4-dihydroisoquinoline-1-carbohydrazide?
The canonical SMILES for (1R)-1,3,3-trimethyl-2,4-dihydroisoquinoline-1-carbohydrazide is CC1(C)Cc2ccccc2[C@](C)(C(=O)NN)N1.
What is the InChIKey of (1R)-1,3,3-trimethyl-2,4-dihydroisoquinoline-1-carbohydrazide?
The InChIKey is ZVAVWQSAEPTEJN-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19N3O/c1-12(2)8-9-6-4-5-7-10(9)13(3,16-12)11(17)15-14/h4-7,16H,8,14H2,1-3H3,(H,15,17)/t13-/m1/s1.
What are the key properties of (1R)-1,3,3-trimethyl-2,4-dihydroisoquinoline-1-carbohydrazide?
(1R)-1,3,3-trimethyl-2,4-dihydroisoquinoline-1-carbohydrazide has a molecular weight of 233.31 g/mol, XLogP of 0.82, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,3,3-trimethyl-2,4-dihydroisoquinoline-1-carbohydrazide is sourced from PubChem (CID 879158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).